CID 6914621

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

Structural Information

Molecular Formula
C25H27N3O4
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

compound 2d structure
1
Annotation Hits

10
References

18
Patents

433.20016 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.