CID 223673

5423-06-3

Structural Information

Molecular Formula
C19H18O2
SMILES
CC1C(=O)C(=C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C
InChI
InChI=1S/C19H18O2/c1-13-17(15-9-5-3-6-10-15)19(21,14(2)18(13)20)16-11-7-4-8-12-16/h3-12,14,21H,1-2H3
InChIKey
VAAQGIJITBVELH-UHFFFAOYSA-N
Compound name
4-hydroxy-2,5-dimethyl-3,4-diphenylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

278.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13796 164.0
[M+Na]+ 301.11990 173.3
[M-H]- 277.12340 173.6
[M+NH4]+ 296.16450 183.4
[M+K]+ 317.09384 167.9
[M+H-H2O]+ 261.12794 157.2
[M+HCOO]- 323.12888 186.7
[M+CH3COO]- 337.14453 176.9
[M+Na-2H]- 299.10535 166.1
[M]+ 278.13013 163.9
[M]- 278.13123 163.9
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