CID 4962507

1-(2-methylphenyl)-3-phenyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C17H14N2O
SMILES
CC1=CC=CC=C1N2C=C(C(=N2)C3=CC=CC=C3)C=O
InChI
InChI=1S/C17H14N2O/c1-13-7-5-6-10-16(13)19-11-15(12-20)17(18-19)14-8-3-2-4-9-14/h2-12H,1H3
InChIKey
ABWUJXAWKJLTBS-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

262.11063 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.117906 159.9
[M+Na]+ 285.099848 169.6
[M-H]- 261.103354 167.7
[M+NH4]+ 280.144453 175.5
[M+K]+ 301.073788 164.0
[M+H-H2O]+ 245.107890 150.4
[M+HCOO]- 307.108831 183.2
[M+CH3COO]- 321.124481 172.6
[M+Na-2H]- 283.085296 163.8
[M]+ 262.11008142 161.0
[M]- 262.11117858 161.0
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

patents stripe