CID 135547218

303106-97-0

Structural Information

Molecular Formula
C15H11ClN4O2S
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl)O
InChI
InChI=1S/C15H11ClN4O2S/c16-14-6-5-13(23-14)10-7-11(19-18-10)15(22)20-17-8-9-3-1-2-4-12(9)21/h1-8,21H,(H,18,19)(H,20,22)/b17-8+
InChIKey
KXTIKWSWVFZRKF-CAOOACKPSA-N
Compound name
5-(5-chlorothiophen-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0291 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03638 177.1
[M+Na]+ 369.01832 187.3
[M-H]- 345.02182 185.0
[M+NH4]+ 364.06292 191.6
[M+K]+ 384.99226 180.2
[M+H-H2O]+ 329.02636 169.5
[M+HCOO]- 391.02730 193.7
[M+CH3COO]- 405.04295 188.4
[M+Na-2H]- 367.00377 177.2
[M]+ 346.02855 181.4
[M]- 346.02965 181.4
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.