CID 3765615

6508-43-6

Structural Information

Molecular Formula
C23H26O4
SMILES
CC1(CC(=O)C(C(=O)C1)C2C3=CC=CC=C3OC4=C2C(=O)CC(C4)(C)C)C
InChI
InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19-20H,9-12H2,1-4H3
InChIKey
XQDXIHYKAGHZRX-UHFFFAOYSA-N
Compound name
2-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-5,5-dimethylcyclohexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

26
Patents

366.1831 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.19038 185.0
[M+Na]+ 389.17232 193.3
[M-H]- 365.17582 193.6
[M+NH4]+ 384.21692 202.3
[M+K]+ 405.14626 189.9
[M+H-H2O]+ 349.18036 176.6
[M+HCOO]- 411.18130 197.0
[M+CH3COO]- 425.19695 220.8
[M+Na-2H]- 387.15777 186.8
[M]+ 366.18255 183.6
[M]- 366.18365 183.6
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