CID 3054403

Brn 2227434

Structural Information

Molecular Formula
C24H22O4
SMILES
CC1=C(C(=C(C(=C1O)C)CC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C24H22O4/c1-15-16(2)23(28-24(27)19-12-8-5-9-13-19)20(17(3)22(15)26)14-21(25)18-10-6-4-7-11-18/h4-13,26H,14H2,1-3H3
InChIKey
HPFHCAUPWNRGMB-UHFFFAOYSA-N
Compound name
(4-hydroxy-2,3,5-trimethyl-6-phenacylphenyl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1518 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15908 189.8
[M+Na]+ 397.14102 196.9
[M-H]- 373.14452 198.7
[M+NH4]+ 392.18562 201.0
[M+K]+ 413.11496 192.3
[M+H-H2O]+ 357.14906 180.4
[M+HCOO]- 419.15000 209.6
[M+CH3COO]- 433.16565 219.2
[M+Na-2H]- 395.12647 188.6
[M]+ 374.15125 192.7
[M]- 374.15235 192.7
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.