CID 354929

(5-hydroxy-3-methyl-1-phenyl-1h-pyrazol-4-yl)phenylmethanone

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O2/c1-12-15(16(20)13-8-4-2-5-9-13)17(21)19(18-12)14-10-6-3-7-11-14/h2-11,18H,1H3
InChIKey
KJTRXVXWSSPHRV-UHFFFAOYSA-N
Compound name
4-benzoyl-5-methyl-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

44
References

1500
Patents

278.10553 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.112806 162.9
[M+Na]+ 301.094748 171.9
[M-H]- 277.098254 169.6
[M+NH4]+ 296.139353 177.0
[M+K]+ 317.068688 166.0
[M+H-H2O]+ 261.102790 153.8
[M+HCOO]- 323.103731 184.0
[M+CH3COO]- 337.119381 174.7
[M+Na-2H]- 299.080196 165.3
[M]+ 278.10498142 162.4
[M]- 278.10607858 162.4
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

patents stripe