CID 392456

Nsc692950

Structural Information

Molecular Formula
C22H24O4
SMILES
CC1=C(C(=O)C2=C(C1=O)C=CC3=C2C=C[C@@](O3)(C)CCC=C(C)C)OC
InChI
InChI=1S/C22H24O4/c1-13(2)7-6-11-22(4)12-10-15-17(26-22)9-8-16-18(15)20(24)21(25-5)14(3)19(16)23/h7-10,12H,6,11H2,1-5H3/t22-/m1/s1
InChIKey
BZLSNHDTAHMYHT-JOCHJYFZSA-N
Compound name
(3R)-9-methoxy-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromene-7,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.16745 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17473 182.3
[M+Na]+ 375.15667 191.7
[M-H]- 351.16017 188.5
[M+NH4]+ 370.20127 198.9
[M+K]+ 391.13061 188.4
[M+H-H2O]+ 335.16471 175.2
[M+HCOO]- 397.16565 198.4
[M+CH3COO]- 411.18130 219.3
[M+Na-2H]- 373.14212 184.9
[M]+ 352.16690 187.6
[M]- 352.16800 187.6
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

No patent data available for this compound.