CID 9571394

Nsc652026

Structural Information

Molecular Formula
C17H13ClN4OS2
SMILES
C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N/N=C/C3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C17H13ClN4OS2/c18-12-8-6-11(7-9-12)10-20-21-16(23)14-15(19)22(17(24)25-14)13-4-2-1-3-5-13/h1-10H,19H2,(H,21,23)/b20-10+
InChIKey
VFJOXPGYHJYBEL-KEBDBYFISA-N
Compound name
4-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.02194 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.02922 187.9
[M+Na]+ 411.01116 197.8
[M-H]- 387.01466 197.7
[M+NH4]+ 406.05576 201.3
[M+K]+ 426.98510 188.5
[M+H-H2O]+ 371.01920 180.3
[M+HCOO]- 433.02014 200.4
[M+CH3COO]- 447.03579 198.2
[M+Na-2H]- 408.99661 187.2
[M]+ 388.02139 191.1
[M]- 388.02249 191.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.