PubChemLite - 4,4'-dithiobis(n-(4-dimethylaminobenzylidene)aniline) (C30H30N4S2)

Structural Information

Molecular Formula

SMILES

CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)SSC3=CC=C(C=C3)N=CC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C30H30N4S2/c1-33(2)27-13-5-23(6-14-27)21-31-25-9-17-29(18-10-25)35-36-30-19-11-26(12-20-30)32-22-24-7-15-28(16-8-24)34(3)4/h5-22H,1-4H3

InChIKey

HKOMVPIVHSPJQP-UHFFFAOYSA-N

Compound name

4-[[4-[[4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]-N,N-dimethylaniline

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]+	511.19848	225.1
[M+Na]+	533.18042	229.7
[M-H]-	509.18392	240.5
[M+NH4]+	528.22502	232.9
[M+K]+	549.15436	221.8
[M+H-H2O]+	493.18846	212.0
[M+HCOO]-	555.18940	243.6
[M+CH3COO]-	569.20505	232.7
[M+Na-2H]-	531.16587	225.9
[M]+	510.19065	230.1
[M]-	510.19175	230.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

511.19848

225.1

[M+Na]+

533.18042

229.7

[M-H]-

509.18392

240.5

[M+NH4]+

528.22502

232.9

[M+K]+

549.15436

221.8

[M+H-H2O]+

493.18846

212.0

[M+HCOO]-

555.18940

243.6

[M+CH3COO]-

569.20505

232.7

[M+Na-2H]-

531.16587

225.9

[M]+

510.19065

230.1

[M]-

510.19175

230.1

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

4,4'-dithiobis(n-(4-dimethylaminobenzylidene)aniline)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe