CID 211881

23711-41-3

Structural Information

Molecular Formula
C17H15N3O2
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=CC=C(C=C3)O
InChI
InChI=1S/C17H15N3O2/c1-12-16(11-18-13-7-9-15(21)10-8-13)17(22)20(19-12)14-5-3-2-4-6-14/h2-11,19,21H,1H3
InChIKey
GHPAAQCLWSDZOB-UHFFFAOYSA-N
Compound name
4-[(4-hydroxyphenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.11642 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 168.9
[M+Na]+ 316.10564 183.5
[M+NH4]+ 311.15024 175.7
[M+K]+ 332.07958 177.8
[M-H]- 292.10914 173.6
[M+Na-2H]- 314.09109 178.1
[M]+ 293.11587 172.2
[M]- 293.11697 172.2
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.