CID 9556891

303107-00-8

Structural Information

Molecular Formula
C13H9ClN4OS2
SMILES
C1=CSC(=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl
InChI
InChI=1S/C13H9ClN4OS2/c14-12-4-3-11(21-12)9-6-10(17-16-9)13(19)18-15-7-8-2-1-5-20-8/h1-7H,(H,16,17)(H,18,19)/b15-7+
InChIKey
HXAXVVSEVURBOE-VIZOYTHASA-N
Compound name
5-(5-chlorothiophen-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

335.99063 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.99791 172.6
[M+Na]+ 358.97985 183.2
[M+NH4]+ 354.02445 180.5
[M+K]+ 374.95379 177.9
[M-H]- 334.98335 177.2
[M+Na-2H]- 356.96530 179.4
[M]+ 335.99008 176.3
[M]- 335.99118 176.3
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.