CID 14452664

3-methyl-1-phenyl-4-cinnamoyl-1h-pyrazole-5-ol

Structural Information

Molecular Formula
C19H16N2O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C19H16N2O2/c1-14-18(17(22)13-12-15-8-4-2-5-9-15)19(23)21(20-14)16-10-6-3-7-11-16/h2-13,20H,1H3/b13-12+
InChIKey
JKWJQCCQYSQMAG-OUKQBFOZSA-N
Compound name
5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enoyl]-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.1212 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12848 171.4
[M+Na]+ 327.11042 179.8
[M-H]- 303.11392 177.7
[M+NH4]+ 322.15502 184.4
[M+K]+ 343.08436 172.9
[M+H-H2O]+ 287.11846 161.9
[M+HCOO]- 349.11940 192.0
[M+CH3COO]- 363.13505 182.3
[M+Na-2H]- 325.09587 172.6
[M]+ 304.12065 170.7
[M]- 304.12175 170.7
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.