CID 367875

Nsc638041

Structural Information

Molecular Formula
C24H22N2O3
SMILES
CC1=CC=C(C=C1)OCC(=O)N2C(CC(=N2)C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C24H22N2O3/c1-18-12-14-21(15-13-18)29-17-23(27)26-24(28,20-10-6-3-7-11-20)16-22(25-26)19-8-4-2-5-9-19/h2-15,28H,16-17H2,1H3
InChIKey
PLULRZFASRFLPP-UHFFFAOYSA-N
Compound name
1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)-2-(4-methylphenoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.16306 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17034 193.8
[M+Na]+ 409.15228 200.3
[M-H]- 385.15578 202.8
[M+NH4]+ 404.19688 204.6
[M+K]+ 425.12622 194.3
[M+H-H2O]+ 369.16032 182.4
[M+HCOO]- 431.16126 212.2
[M+CH3COO]- 445.17691 202.9
[M+Na-2H]- 407.13773 194.8
[M]+ 386.16251 193.7
[M]- 386.16361 193.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.