PubChemLite - Chembl210463 (C32H35N3O5)

Structural Information

Molecular Formula

SMILES

CN(C)C1=CC=CC(=C1)C(=O)C(=O)NC2=CC(=CC=C2)N3C[C@H](CC3=O)C4=CC(=C(C=C4)OC)OC5CCCC5

InChI

InChI=1S/C32H35N3O5/c1-34(2)25-10-6-8-22(16-25)31(37)32(38)33-24-9-7-11-26(19-24)35-20-23(18-30(35)36)21-14-15-28(39-3)29(17-21)40-27-12-4-5-13-27/h6-11,14-17,19,23,27H,4-5,12-13,18,20H2,1-3H3,(H,33,38)/t23-/m0/s1

InChIKey

HHKXHETXPRWUNE-QHCPKHFHSA-N

Compound name

N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-2-[3-(dimethylamino)phenyl]-2-oxoacetamide

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]+	542.26498	228.9
[M+Na]+	564.24692	229.2
[M-H]-	540.25042	244.0
[M+NH4]+	559.29152	234.4
[M+K]+	580.22086	226.2
[M+H-H2O]+	524.25496	217.4
[M+HCOO]-	586.25590	247.0
[M+CH3COO]-	600.27155	256.6
[M+Na-2H]-	562.23237	220.4
[M]+	541.25715	228.5
[M]-	541.25825	228.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

542.26498

228.9

[M+Na]+

564.24692

229.2

[M-H]-

540.25042

244.0

[M+NH4]+

559.29152

234.4

[M+K]+

580.22086

226.2

[M+H-H2O]+

524.25496

217.4

[M+HCOO]-

586.25590

247.0

[M+CH3COO]-

600.27155

256.6

[M+Na-2H]-

562.23237

220.4

[M]+

541.25715

228.5

[M]-

541.25825

228.5

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

Chembl210463

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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