PubChemLite - 71767-17-4 (C34H38N6)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)N=CC4=CC=C(C=C4)N(CC)CC

InChI

InChI=1S/C34H38N6/c1-5-39(6-2)33-21-9-27(10-22-33)25-35-29-13-17-31(18-14-29)37-38-32-19-15-30(16-20-32)36-26-28-11-23-34(24-12-28)40(7-3)8-4/h9-26H,5-8H2,1-4H3

InChIKey

YTWOOKYCDQBWNO-UHFFFAOYSA-N

Compound name

4-[[4-[[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]diazenyl]phenyl]iminomethyl]-N,N-diethylaniline

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]+	531.32308	239.0
[M+Na]+	553.30502	240.4
[M-H]-	529.30852	256.9
[M+NH4]+	548.34962	245.2
[M+K]+	569.27896	235.9
[M+H-H2O]+	513.31306	222.8
[M+HCOO]-	575.31400	271.3
[M+CH3COO]-	589.32965	278.2
[M+Na-2H]-	551.29047	241.3
[M]+	530.31525	243.8
[M]-	530.31635	243.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

531.32308

239.0

[M+Na]+

553.30502

240.4

[M-H]-

529.30852

256.9

[M+NH4]+

548.34962

245.2

[M+K]+

569.27896

235.9

[M+H-H2O]+

513.31306

222.8

[M+HCOO]-

575.31400

271.3

[M+CH3COO]-

589.32965

278.2

[M+Na-2H]-

551.29047

241.3

[M]+

530.31525

243.8

[M]-

530.31635

243.8

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

71767-17-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe