CID 13446023

102689-16-7

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CC1(CC(CCO1)N2C(=O)C(C(=N2)C3=CC=CC=C3)CC4=CC=CC=C4)C
InChI
InChI=1S/C23H26N2O2/c1-23(2)16-19(13-14-27-23)25-22(26)20(15-17-9-5-3-6-10-17)21(24-25)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3
InChIKey
YMLCADNMFATKNS-UHFFFAOYSA-N
Compound name
4-benzyl-2-(2,2-dimethyloxan-4-yl)-5-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.19943 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 189.6
[M+Na]+ 385.18865 204.6
[M+NH4]+ 380.23325 198.8
[M+K]+ 401.16259 195.9
[M-H]- 361.19215 198.0
[M+Na-2H]- 383.17410 199.8
[M]+ 362.19888 194.4
[M]- 362.19998 194.4
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.