CID 131752525

(3'x,5'a,9'x,10'b)-o-(6-oxo-7-drimen-11-yl)umbelliferone

Structural Information

Molecular Formula
C24H28O4
SMILES
CC1=CC(=O)C2C(CCCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)(C)C
InChI
InChI=1S/C24H28O4/c1-15-12-19(25)22-23(2,3)10-5-11-24(22,4)18(15)14-27-17-8-6-16-7-9-21(26)28-20(16)13-17/h6-9,12-13,18,22H,5,10-11,14H2,1-4H3
InChIKey
CKZQOSCRZFMJSZ-UHFFFAOYSA-N
Compound name
7-[(2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.19876 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20604 190.5
[M+Na]+ 403.18798 199.2
[M-H]- 379.19148 199.4
[M+NH4]+ 398.23258 207.3
[M+K]+ 419.16192 195.8
[M+H-H2O]+ 363.19602 181.2
[M+HCOO]- 425.19696 204.9
[M+CH3COO]- 439.21261 222.2
[M+Na-2H]- 401.17343 194.1
[M]+ 380.19821 192.5
[M]- 380.19931 192.5
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.