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]+ 325.08508 174.2
[M+Na]+ 347.06702 181.8
[M-H]- 323.07052 181.4
[M+NH4]+ 342.11162 187.0
[M+K]+ 363.04096 174.5
[M+H-H2O]+ 307.07506 164.1
[M+HCOO]- 369.07600 194.0
[M+CH3COO]- 383.09165 184.7
[M+Na-2H]- 345.05247 178.3
[M]+ 324.07725 174.4
[M]- 324.07835 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.