CID 383300

Nsc671413

Structural Information

Molecular Formula
C21H16N4S2
SMILES
C1=CC=C(C=C1)NN=C2SC(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2
InChI
InChI=1S/C21H16N4S2/c1-4-10-16(11-5-1)22-19-20(23-17-12-6-2-7-13-17)27-21(26-19)25-24-18-14-8-3-9-15-18/h1-15,24H
InChIKey
UCCZGUNZUWTDPB-UHFFFAOYSA-N
Compound name
N-[[4,5-bis(phenylimino)-1,3-dithiolan-2-ylidene]amino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.08163 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08891 187.5
[M+Na]+ 411.07085 194.1
[M-H]- 387.07435 202.8
[M+NH4]+ 406.11545 201.6
[M+K]+ 427.04479 186.2
[M+H-H2O]+ 371.07889 177.6
[M+HCOO]- 433.07983 208.7
[M+CH3COO]- 447.09548 198.0
[M+Na-2H]- 409.05630 191.0
[M]+ 388.08108 186.7
[M]- 388.08218 186.7
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.