CID 9563195

302918-74-7

Structural Information

Molecular Formula
C15H11ClN4OS
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl
InChI
InChI=1S/C15H11ClN4OS/c16-14-7-6-13(22-14)11-8-12(19-18-11)15(21)20-17-9-10-4-2-1-3-5-10/h1-9H,(H,18,19)(H,20,21)/b17-9+
InChIKey
IWRXTXZQDFLTTN-RQZCQDPDSA-N
Compound name
N-[(E)-benzylideneamino]-5-(5-chlorothiophen-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0342 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04148 174.4
[M+Na]+ 353.02342 184.7
[M-H]- 329.02692 183.3
[M+NH4]+ 348.06802 190.2
[M+K]+ 368.99736 177.6
[M+H-H2O]+ 313.03146 166.3
[M+HCOO]- 375.03240 192.4
[M+CH3COO]- 389.04805 186.3
[M+Na-2H]- 351.00887 175.2
[M]+ 330.03365 178.8
[M]- 330.03475 178.8
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.