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]+ 375.159076 189.8
[M+Na]+ 397.141018 196.9
[M-H]- 373.144524 198.7
[M+NH4]+ 392.185623 201.0
[M+K]+ 413.114958 192.3
[M+H-H2O]+ 357.149060 180.4
[M+HCOO]- 419.150001 209.6
[M+CH3COO]- 433.165651 219.2
[M+Na-2H]- 395.126466 188.6
[M]+ 374.15125142 192.7
[M]- 374.15234858 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.