CID 6867305

3-(5-chloro-2-thienyl)-n'-(4-pyridinylmethylene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C14H10ClN5OS
SMILES
C1=CN=CC=C1/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Cl
InChI
InChI=1S/C14H10ClN5OS/c15-13-2-1-12(22-13)10-7-11(19-18-10)14(21)20-17-8-9-3-5-16-6-4-9/h1-8H,(H,18,19)(H,20,21)/b17-8+
InChIKey
OJYZFNXZNKBRET-CAOOACKPSA-N
Compound name
5-(5-chlorothiophen-2-yl)-N-[(E)-pyridin-4-ylmethylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.02945 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.03673 172.8
[M+Na]+ 354.01867 183.4
[M-H]- 330.02217 180.6
[M+NH4]+ 349.06327 187.1
[M+K]+ 369.99261 176.6
[M+H-H2O]+ 314.02671 164.0
[M+HCOO]- 376.02765 189.8
[M+CH3COO]- 390.04330 184.4
[M+Na-2H]- 352.00412 174.1
[M]+ 331.02890 177.2
[M]- 331.03000 177.2
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.