PubChemLite - Akt inhibitor viii (C34H29N7O)

Structural Information

Molecular Formula

SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=C(N=C6C=C7C(=NC=N7)C=C6N5)C8=CC=CC=C8

InChI

InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25,38H,14-17,20H2,(H,39,42)

InChIKey

IWCQHVUQEFDRIW-UHFFFAOYSA-N

Compound name

3-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

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]+	552.25063	235.5
[M+Na]+	574.23257	255.5
[M+NH4]+	569.27717	241.6
[M+K]+	590.20651	248.1
[M-H]-	550.23607	243.8
[M+Na-2H]-	572.21802	245.3
[M]+	551.24280	241.0
[M]-	551.24390	241.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

552.25063

235.5

[M+Na]+

574.23257

255.5

[M+NH4]+

569.27717

241.6

[M+K]+

590.20651

248.1

[M-H]-

550.23607

243.8

[M+Na-2H]-

572.21802

245.3

[M]+

551.24280

241.0

[M]-

551.24390

241.0

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

Akt inhibitor viii

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe