PubChemLite - Dtxsid30866555 (C32H37N5)

Structural Information

Molecular Formula

SMILES

CCCCC(CC)CNC1=C(C2=CC=CC=C2C=C1)N=NC3=CC(=C(C=C3)N=NC4=CC=CC(=C4)C)C

InChI

InChI=1S/C32H37N5/c1-5-7-12-25(6-2)22-33-31-18-16-26-13-8-9-15-29(26)32(31)37-35-28-17-19-30(24(4)21-28)36-34-27-14-10-11-23(3)20-27/h8-11,13-21,25,33H,5-7,12,22H2,1-4H3

InChIKey

OKIYJTPWVUUWGC-UHFFFAOYSA-N

Compound name

N-(2-ethylhexyl)-1-[[3-methyl-4-[(3-methylphenyl)diazenyl]phenyl]diazenyl]naphthalen-2-amine

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]+	492.31218	227.6
[M+Na]+	514.29412	230.9
[M-H]-	490.29762	241.5
[M+NH4]+	509.33872	236.4
[M+K]+	530.26806	225.1
[M+H-H2O]+	474.30216	213.5
[M+HCOO]-	536.30310	256.3
[M+CH3COO]-	550.31875	266.8
[M+Na-2H]-	512.27957	230.7
[M]+	491.30435	232.0
[M]-	491.30545	232.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

492.31218

227.6

[M+Na]+

514.29412

230.9

[M-H]-

490.29762

241.5

[M+NH4]+

509.33872

236.4

[M+K]+

530.26806

225.1

[M+H-H2O]+

474.30216

213.5

[M+HCOO]-

536.30310

256.3

[M+CH3COO]-

550.31875

266.8

[M+Na-2H]-

512.27957

230.7

[M]+

491.30435

232.0

[M]-

491.30545

232.0

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

Dtxsid30866555

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe