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 167.1
[M+Na]+ 316.10564 176.4
[M-H]- 292.10914 174.0
[M+NH4]+ 311.15024 180.6
[M+K]+ 332.07958 170.0
[M+H-H2O]+ 276.11368 157.7
[M+HCOO]- 338.11462 190.2
[M+CH3COO]- 352.13027 178.7
[M+Na-2H]- 314.09109 170.4
[M]+ 293.11587 166.8
[M]- 293.11697 166.8
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.