CID 6477676

3-geranyl-2,4,6-trihydroxybenzophenone

Structural Information

Molecular Formula
C23H26O4
SMILES
CC(=CCC/C(=C/CC1=C(C(=C(C=C1O)O)C(=O)C2=CC=CC=C2)O)/C)C
InChI
InChI=1S/C23H26O4/c1-15(2)8-7-9-16(3)12-13-18-19(24)14-20(25)21(23(18)27)22(26)17-10-5-4-6-11-17/h4-6,8,10-12,14,24-25,27H,7,9,13H2,1-3H3/b16-12+
InChIKey
ZAIQNYMNZNXUAF-FOWTUZBSSA-N
Compound name
[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

366.1831 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19038 189.9
[M+Na]+ 389.17232 194.7
[M-H]- 365.17582 192.3
[M+NH4]+ 384.21692 200.3
[M+K]+ 405.14626 188.8
[M+H-H2O]+ 349.18036 182.4
[M+HCOO]- 411.18130 205.1
[M+CH3COO]- 425.19695 213.8
[M+Na-2H]- 387.15777 185.5
[M]+ 366.18255 189.8
[M]- 366.18365 189.8
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