CID 383302

Nsc671415

Structural Information

Molecular Formula
C23H21N5S2
SMILES
CN(C)C1=CC=C(C=C1)NN=C2SC(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2
InChI
InChI=1S/C23H21N5S2/c1-28(2)20-15-13-19(14-16-20)26-27-23-29-21(24-17-9-5-3-6-10-17)22(30-23)25-18-11-7-4-8-12-18/h3-16,26H,1-2H3
InChIKey
FJWOBPMTNRHOOZ-UHFFFAOYSA-N
Compound name
1-N-[[4,5-bis(phenylimino)-1,3-dithiolan-2-ylidene]amino]-4-N,4-N-dimethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.12384 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.13112 200.2
[M+Na]+ 454.11306 205.6
[M-H]- 430.11656 216.4
[M+NH4]+ 449.15766 212.9
[M+K]+ 470.08700 198.7
[M+H-H2O]+ 414.12110 189.3
[M+HCOO]- 476.12204 221.7
[M+CH3COO]- 490.13769 209.9
[M+Na-2H]- 452.09851 202.5
[M]+ 431.12329 200.9
[M]- 431.12439 200.9
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.