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 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

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Patent stripe

No patent data available for this compound.