CID 44257870

Apigenin 7-lactate

Structural Information

Molecular Formula
C18H14O7
SMILES
CC(C(=O)OC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)O
InChI
InChI=1S/C18H14O7/c1-9(19)18(23)24-12-6-13(21)17-14(22)8-15(25-16(17)7-12)10-2-4-11(20)5-3-10/h2-9,19-21H,1H3
InChIKey
HATNSSGJRODWED-UHFFFAOYSA-N
Compound name
[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl] 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.07394 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.081216 174.0
[M+Na]+ 365.063158 182.5
[M-H]- 341.066664 179.5
[M+NH4]+ 360.107763 184.9
[M+K]+ 381.037098 180.7
[M+H-H2O]+ 325.071200 166.2
[M+HCOO]- 387.072141 190.8
[M+CH3COO]- 401.087791 206.2
[M+Na-2H]- 363.048606 177.0
[M]+ 342.07339142 177.8
[M]- 342.07448858 177.8
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.