CID 126961127

(4s)-2,3-dehydroleucocyanidin

Structural Information

Molecular Formula
C15H12O7
SMILES
C1=CC(=C(C=C1C2=C([C@H](C3=C(C=C(C=C3O2)O)O)O)O)O)O
InChI
InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,16-21H/t13-/m0/s1
InChIKey
YAAGNRWEJSZFLV-ZDUSSCGKSA-N
Compound name
(4S)-2-(3,4-dihydroxyphenyl)-4H-chromene-3,4,5,7-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

304.0583 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.065576 165.1
[M+Na]+ 327.047518 174.4
[M-H]- 303.051024 167.3
[M+NH4]+ 322.092123 176.3
[M+K]+ 343.021458 171.2
[M+H-H2O]+ 287.055560 158.6
[M+HCOO]- 349.056501 178.5
[M+CH3COO]- 363.072151 194.5
[M+Na-2H]- 325.032966 168.3
[M]+ 304.05775142 164.9
[M]- 304.05884858 164.9
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

patents stripe