CID 385982

Nsc677496

Structural Information

Molecular Formula
C30H30N4S2
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

compound 2d structure
1
Annotation Hits

1
References

0
Patents

510.1912 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.19848 219.3
[M+Na]+ 533.18042 234.1
[M+NH4]+ 528.22502 228.4
[M+K]+ 549.15436 219.1
[M-H]- 509.18392 232.3
[M+Na-2H]- 531.16587 233.5
[M]+ 510.19065 226.3
[M]- 510.19175 226.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.