CID 21676388

Elaeocyanidin

Structural Information

Molecular Formula
C19H20O7
SMILES
CC1(C2=C(C(=C(C=C2[C@@H]3[C@@H](O1)CC4=C(C=C(C=C4O3)O)O)O)OC)O)C
InChI
InChI=1S/C19H20O7/c1-19(2)15-10(6-12(22)18(24-3)16(15)23)17-14(26-19)7-9-11(21)4-8(20)5-13(9)25-17/h4-6,14,17,20-23H,7H2,1-3H3/t14-,17+/m0/s1
InChIKey
UEYVPAAGIXRIKF-WMLDXEAASA-N
Compound name
(6aS,12aR)-3-methoxy-5,5-dimethyl-7,12a-dihydro-6aH-isochromeno[4,3-b]chromene-2,4,8,10-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1209 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12818 182.0
[M+Na]+ 383.11012 191.8
[M-H]- 359.11362 185.4
[M+NH4]+ 378.15472 195.3
[M+K]+ 399.08406 190.5
[M+H-H2O]+ 343.11816 175.2
[M+HCOO]- 405.11910 190.8
[M+CH3COO]- 419.13475 191.8
[M+Na-2H]- 381.09557 187.2
[M]+ 360.12035 185.5
[M]- 360.12145 185.5
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.