PubChemLite - Men-10930 (C37H38N4O3)

Structural Information

Molecular Formula

SMILES

CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)C4(CCCCC4)NC(=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C37H38N4O3/c1-41(25-26-12-4-2-5-13-26)35(43)33(23-27-18-19-28-14-6-7-15-29(28)22-27)39-36(44)37(20-10-3-11-21-37)40-34(42)31-24-38-32-17-9-8-16-30(31)32/h2,4-9,12-19,22,24,33,38H,3,10-11,20-21,23,25H2,1H3,(H,39,44)(H,40,42)/t33-/m0/s1

InChIKey

IGAXDMFXJYIUIV-XIFFEERXSA-N

Compound name

N-[1-[[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]cyclohexyl]-1H-indole-3-carboxamide

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]+	587.30168	235.9
[M+Na]+	609.28362	233.4
[M-H]-	585.28712	245.8
[M+NH4]+	604.32822	239.5
[M+K]+	625.25756	228.1
[M+H-H2O]+	569.29166	222.8
[M+HCOO]-	631.29260	249.2
[M+CH3COO]-	645.30825	238.8
[M+Na-2H]-	607.26907	235.2
[M]+	586.29385	231.0
[M]-	586.29495	231.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

587.30168

235.9

[M+Na]+

609.28362

233.4

[M-H]-

585.28712

245.8

[M+NH4]+

604.32822

239.5

[M+K]+

625.25756

228.1

[M+H-H2O]+

569.29166

222.8

[M+HCOO]-

631.29260

249.2

[M+CH3COO]-

645.30825

238.8

[M+Na-2H]-

607.26907

235.2

[M]+

586.29385

231.0

[M]-

586.29495

231.0

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

Men-10930

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe