CID 9571392

Nsc652024

Structural Information

Molecular Formula
C17H14N4OS2
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N
InChI
InChI=1S/C17H14N4OS2/c18-15-14(16(22)20-19-11-12-7-3-1-4-8-12)24-17(23)21(15)13-9-5-2-6-10-13/h1-11H,18H2,(H,20,22)/b19-11+
InChIKey
RYVNVHBCCXWZPT-YBFXNURJSA-N
Compound name
4-amino-N-[(E)-benzylideneamino]-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.0609 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.06818 179.6
[M+Na]+ 377.05012 188.3
[M-H]- 353.05362 189.2
[M+NH4]+ 372.09472 193.3
[M+K]+ 393.02406 180.2
[M+H-H2O]+ 337.05816 171.1
[M+HCOO]- 399.05910 196.8
[M+CH3COO]- 413.07475 190.2
[M+Na-2H]- 375.03557 180.2
[M]+ 354.06035 180.4
[M]- 354.06145 180.4
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.