CID 10524567

Dorsmanin b

Structural Information

Molecular Formula
C25H28O4
SMILES
CC1(CCC2=CC3=C(C=C2O1)OC(CC3=O)C4=CC5=C(C=C4)OC(CC5)(C)C)C
InChI
InChI=1S/C25H28O4/c1-24(2)9-7-16-11-15(5-6-20(16)28-24)21-13-19(26)18-12-17-8-10-25(3,4)29-22(17)14-23(18)27-21/h5-6,11-12,14,21H,7-10,13H2,1-4H3
InChIKey
NGPBIRAXWXZMOD-UHFFFAOYSA-N
Compound name
8-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.19876 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 195.4
[M+Na]+ 415.18798 203.2
[M-H]- 391.19148 205.6
[M+NH4]+ 410.23258 209.4
[M+K]+ 431.16192 201.9
[M+H-H2O]+ 375.19602 184.6
[M+HCOO]- 437.19696 203.9
[M+CH3COO]- 451.21261 204.7
[M+Na-2H]- 413.17343 199.5
[M]+ 392.19821 195.2
[M]- 392.19931 195.2
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

No patent data available for this compound.