PubChemLite - Einecs 260-913-7 (C37H47N5)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCNC1=C(C2=CC=CC=C2C=C1)N=NC3=C(C=C(C=C3)N=NC4=CC=CC=C4C)C

InChI

InChI=1S/C37H47N5/c1-4-5-6-7-8-9-10-11-12-13-18-27-38-36-25-23-31-20-15-16-21-33(31)37(36)42-41-35-26-24-32(28-30(35)3)39-40-34-22-17-14-19-29(34)2/h14-17,19-26,28,38H,4-13,18,27H2,1-3H3

InChIKey

QAGZJRBUGVRFNF-UHFFFAOYSA-N

Compound name

1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]-N-tridecylnaphthalen-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]+	562.39038	247.3
[M+Na]+	584.37232	248.6
[M-H]-	560.37582	259.9
[M+NH4]+	579.41692	253.2
[M+K]+	600.34626	241.2
[M+H-H2O]+	544.38036	231.8
[M+HCOO]-	606.38130	275.1
[M+CH3COO]-	620.39695	280.1
[M+Na-2H]-	582.35777	249.0
[M]+	561.38255	253.7
[M]-	561.38365	253.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

562.39038

247.3

[M+Na]+

584.37232

248.6

[M-H]-

560.37582

259.9

[M+NH4]+

579.41692

253.2

[M+K]+

600.34626

241.2

[M+H-H2O]+

544.38036

231.8

[M+HCOO]-

606.38130

275.1

[M+CH3COO]-

620.39695

280.1

[M+Na-2H]-

582.35777

249.0

[M]+

561.38255

253.7

[M]-

561.38365

253.7

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

Einecs 260-913-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe