CID 392458

Nsc692952

Structural Information

Molecular Formula
C22H26O5
SMILES
CC1=C(C(=O)C2=C(C1=O)C=CC3=C2C=C[C@@](O3)(C)CCCC(C)(C)O)OC
InChI
InChI=1S/C22H26O5/c1-13-18(23)15-7-8-16-14(17(15)19(24)20(13)26-5)9-12-22(4,27-16)11-6-10-21(2,3)25/h7-9,12,25H,6,10-11H2,1-5H3/t22-/m1/s1
InChIKey
QGHYTDUCXIGTPD-JOCHJYFZSA-N
Compound name
(3R)-3-(4-hydroxy-4-methylpentyl)-9-methoxy-3,8-dimethylbenzo[f]chromene-7,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.178 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18528 187.7
[M+Na]+ 393.16722 196.7
[M-H]- 369.17072 192.6
[M+NH4]+ 388.21182 202.9
[M+K]+ 409.14116 194.1
[M+H-H2O]+ 353.17526 181.2
[M+HCOO]- 415.17620 201.6
[M+CH3COO]- 429.19185 220.2
[M+Na-2H]- 391.15267 192.4
[M]+ 370.17745 193.7
[M]- 370.17855 193.7
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.