PubChemLite - 69432-33-3 (C34H40N8)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)N=NC4=C(C=C(C=C4)N(CC)CC)C)C

InChI

InChI=1S/C34H40N8/c1-7-41(8-2)31-19-21-33(25(5)23-31)39-37-29-15-11-27(12-16-29)35-36-28-13-17-30(18-14-28)38-40-34-22-20-32(24-26(34)6)42(9-3)10-4/h11-24H,7-10H2,1-6H3

InChIKey

LGBKDJSCWHMGCN-UHFFFAOYSA-N

Compound name

4-[[4-[[4-[[4-(diethylamino)-2-methylphenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline

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]+	561.34488	248.2
[M+Na]+	583.32682	250.4
[M-H]-	559.33032	269.0
[M+NH4]+	578.37142	254.4
[M+K]+	599.30076	248.3
[M+H-H2O]+	543.33486	230.9
[M+HCOO]-	605.33580	284.7
[M+CH3COO]-	619.35145	294.4
[M+Na-2H]-	581.31227	250.9
[M]+	560.33705	256.0
[M]-	560.33815	256.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

561.34488

248.2

[M+Na]+

583.32682

250.4

[M-H]-

559.33032

269.0

[M+NH4]+

578.37142

254.4

[M+K]+

599.30076

248.3

[M+H-H2O]+

543.33486

230.9

[M+HCOO]-

605.33580

284.7

[M+CH3COO]-

619.35145

294.4

[M+Na-2H]-

581.31227

250.9

[M]+

560.33705

256.0

[M]-

560.33815

256.0

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

69432-33-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe