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

0
Patents

262.11063 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11791 161.2
[M+Na]+ 285.09985 177.8
[M+NH4]+ 280.14445 169.8
[M+K]+ 301.07379 170.7
[M-H]- 261.10335 166.9
[M+Na-2H]- 283.08530 172.3
[M]+ 262.11008 165.4
[M]- 262.11118 165.4
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.