CID 6869908

305354-07-8

Structural Information

Molecular Formula
C17H13ClN4O
SMILES
C1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=CC=C3Cl
InChI
InChI=1S/C17H13ClN4O/c18-14-9-5-4-8-13(14)11-19-22-17(23)16-10-15(20-21-16)12-6-2-1-3-7-12/h1-11H,(H,20,21)(H,22,23)/b19-11+
InChIKey
QWKXSNFUFKHYKQ-YBFXNURJSA-N
Compound name
N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.0778 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.085076 174.2
[M+Na]+ 347.067018 181.8
[M-H]- 323.070524 181.4
[M+NH4]+ 342.111623 187.0
[M+K]+ 363.040958 174.5
[M+H-H2O]+ 307.075060 164.1
[M+HCOO]- 369.076001 194.0
[M+CH3COO]- 383.091651 184.7
[M+Na-2H]- 345.052466 178.3
[M]+ 324.07725142 174.4
[M]- 324.07834858 174.4
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.