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]+ 305.06558 165.1
[M+Na]+ 327.04752 174.4
[M-H]- 303.05102 167.3
[M+NH4]+ 322.09212 176.3
[M+K]+ 343.02146 171.2
[M+H-H2O]+ 287.05556 158.6
[M+HCOO]- 349.05650 178.5
[M+CH3COO]- 363.07215 194.5
[M+Na-2H]- 325.03297 168.3
[M]+ 304.05775 164.9
[M]- 304.05885 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