PubChemLite - 192321-23-6 (C26H29N5O2S)

Structural Information

Molecular Formula

SMILES

C1CC(CCC1CNC2=NC3=CC=CC=C3C(=N2)N)CNS(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H29N5O2S/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31)

InChIKey

UULIGRNKXHCLQN-UHFFFAOYSA-N

Compound name

N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide

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]+	476.21148	208.6
[M+Na]+	498.19342	222.1
[M+NH4]+	493.23802	215.7
[M+K]+	514.16736	211.6
[M-H]-	474.19692	216.2
[M+Na-2H]-	496.17887	218.1
[M]+	475.20365	213.1
[M]-	475.20475	213.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.21148

208.6

[M+Na]+

498.19342

222.1

[M+NH4]+

493.23802

215.7

[M+K]+

514.16736

211.6

[M-H]-

474.19692

216.2

[M+Na-2H]-

496.17887

218.1

[M]+

475.20365

213.1

[M]-

475.20475

213.1

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

192321-23-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe