CID 2497442

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

Structural Information

Molecular Formula
C17H14N2O
SMILES
CC1=CC=CC=C1C2=NN(C=C2C=O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O/c1-13-7-5-6-10-16(13)17-14(12-20)11-19(18-17)15-8-3-2-4-9-15/h2-12H,1H3
InChIKey
PCSFJJSFVBYKPS-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-1-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 159.9
[M+Na]+ 285.09985 169.6
[M-H]- 261.10335 167.7
[M+NH4]+ 280.14445 175.5
[M+K]+ 301.07379 164.0
[M+H-H2O]+ 245.10789 150.4
[M+HCOO]- 307.10883 183.2
[M+CH3COO]- 321.12448 172.6
[M+Na-2H]- 283.08530 163.8
[M]+ 262.11008 161.0
[M]- 262.11118 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

literature stripe

Patent stripe

No patent data available for this compound.