CID 480787

Glycyrin

Structural Information

Molecular Formula
C22H22O6
SMILES
CC(=CCC1=C(C=C2C(=C1OC)C=C(C(=O)O2)C3=C(C=C(C=C3)O)O)OC)C
InChI
InChI=1S/C22H22O6/c1-12(2)5-7-15-19(26-3)11-20-17(21(15)27-4)10-16(22(25)28-20)14-8-6-13(23)9-18(14)24/h5-6,8-11,23-24H,7H2,1-4H3
InChIKey
FWWGXZYUURXJLK-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

146
Patents

382.14163 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14891 190.0
[M+Na]+ 405.13085 199.4
[M-H]- 381.13435 196.8
[M+NH4]+ 400.17545 200.8
[M+K]+ 421.10479 196.5
[M+H-H2O]+ 365.13889 181.6
[M+HCOO]- 427.13983 207.6
[M+CH3COO]- 441.15548 219.5
[M+Na-2H]- 403.11630 190.8
[M]+ 382.14108 196.8
[M]- 382.14218 196.8
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