CID 792340

3-(4-methoxyphenyl)-1-phenyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C17H14N2O2
SMILES
COC1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O2/c1-21-16-9-7-13(8-10-16)17-14(12-20)11-19(18-17)15-5-3-2-4-6-15/h2-12H,1H3
InChIKey
KGEVSOCXYXEMSM-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

8
Patents

278.10553 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 164.6
[M+Na]+ 301.09475 180.6
[M+NH4]+ 296.13935 172.6
[M+K]+ 317.06869 174.1
[M-H]- 277.09825 169.8
[M+Na-2H]- 299.08020 175.1
[M]+ 278.10498 168.4
[M]- 278.10608 168.4
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

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