PubChemLite - (2r)-n-hydroxy-2-[(3s)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide (C25H27N3O4)

Structural Information

Molecular Formula

SMILES

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)[C@@]4(CCN(C4=O)[C@H](C)C(=O)NO)C

InChI

InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1

InChIKey

YDMIPBHQKFOFQW-NSYGIPOTSA-N

Compound name

(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	434.20744	204.9
[M+Na]+	456.18938	210.5
[M-H]-	432.19288	211.6
[M+NH4]+	451.23398	215.0
[M+K]+	472.16332	205.5
[M+H-H2O]+	416.19742	194.7
[M+HCOO]-	478.19836	220.3
[M+CH3COO]-	492.21401	230.5
[M+Na-2H]-	454.17483	203.9
[M]+	433.19961	205.6
[M]-	433.20071	205.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

434.20744

204.9

[M+Na]+

456.18938

210.5

[M-H]-

432.19288

211.6

[M+NH4]+

451.23398

215.0

[M+K]+

472.16332

205.5

[M+H-H2O]+

416.19742

194.7

[M+HCOO]-

478.19836

220.3

[M+CH3COO]-

492.21401

230.5

[M+Na-2H]-

454.17483

203.9

[M]+

433.19961

205.6

[M]-

433.20071

205.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(2r)-n-hydroxy-2-[(3s)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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