CID 107876

Procyanidin

Structural Information

Molecular Formula
C30H26O13
SMILES
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4(C(C(C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C=C6)O)O
InChI
InChI=1S/C30H26O13/c31-14-7-19(35)16-11-25(28(41-23(16)9-14)12-1-3-17(33)20(36)5-12)43-30(13-2-4-18(34)21(37)6-13)29(40)27(39)26-22(38)8-15(32)10-24(26)42-30/h1-10,25,27-29,31-40H,11H2
InChIKey
HGVVOUNEGQIPMS-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4-dihydrochromene-3,4,5,7-tetrol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

715
References

6324
Patents

594.1373 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.14458 229.5
[M+Na]+ 617.12652 236.9
[M-H]- 593.13002 226.7
[M+NH4]+ 612.17112 232.4
[M+K]+ 633.10046 230.3
[M+H-H2O]+ 577.13456 219.2
[M+HCOO]- 639.13550 234.4
[M+CH3COO]- 653.15115 238.6
[M+Na-2H]- 615.11197 251.8
[M]+ 594.13675 245.9
[M]- 594.13785 245.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.