CID 9571393

Nsc652025

Structural Information

Molecular Formula
C18H16N4O2S2
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N
InChI
InChI=1S/C18H16N4O2S2/c1-24-14-9-7-12(8-10-14)11-20-21-17(23)15-16(19)22(18(25)26-15)13-5-3-2-4-6-13/h2-11H,19H2,1H3,(H,21,23)/b20-11+
InChIKey
BAXOWMDQYOVWPU-RGVLZGJSSA-N
Compound name
4-amino-N-[(E)-(4-methoxyphenyl)methylideneamino]-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.07147 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.07875 187.6
[M+Na]+ 407.06069 196.2
[M-H]- 383.06419 197.2
[M+NH4]+ 402.10529 200.1
[M+K]+ 423.03463 188.5
[M+H-H2O]+ 367.06873 178.8
[M+HCOO]- 429.06967 204.5
[M+CH3COO]- 443.08532 223.0
[M+Na-2H]- 405.04614 187.4
[M]+ 384.07092 190.4
[M]- 384.07202 190.4
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.