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]+ 343.08122 174.0
[M+Na]+ 365.06316 182.5
[M-H]- 341.06666 179.5
[M+NH4]+ 360.10776 184.9
[M+K]+ 381.03710 180.7
[M+H-H2O]+ 325.07120 166.2
[M+HCOO]- 387.07214 190.8
[M+CH3COO]- 401.08779 206.2
[M+Na-2H]- 363.04861 177.0
[M]+ 342.07339 177.8
[M]- 342.07449 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.