CID 976916

3-(3,4-dimethylphenyl)-1-phenyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C18H16N2O
SMILES
CC1=C(C=C(C=C1)C2=NN(C=C2C=O)C3=CC=CC=C3)C
InChI
InChI=1S/C18H16N2O/c1-13-8-9-15(10-14(13)2)18-16(12-21)11-20(19-18)17-6-4-3-5-7-17/h3-12H,1-2H3
InChIKey
HYMDDEKDKOPGOH-UHFFFAOYSA-N
Compound name
3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

276.12625 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 165.7
[M+Na]+ 299.11547 182.5
[M+NH4]+ 294.16007 174.2
[M+K]+ 315.08941 175.4
[M-H]- 275.11897 171.5
[M+Na-2H]- 297.10092 176.3
[M]+ 276.12570 169.9
[M]- 276.12680 169.9
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