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]+ 355.068176 179.6
[M+Na]+ 377.050118 188.3
[M-H]- 353.053624 189.2
[M+NH4]+ 372.094723 193.3
[M+K]+ 393.024058 180.2
[M+H-H2O]+ 337.058160 171.1
[M+HCOO]- 399.059101 196.8
[M+CH3COO]- 413.074751 190.2
[M+Na-2H]- 375.035566 180.2
[M]+ 354.06035142 180.4
[M]- 354.06144858 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.