CID 13041878

N-feruloylanthranilic acid

Structural Information

Molecular Formula
C17H15NO5
SMILES
COC1=C(C=CC(=C1)/C=C\C(=O)NC2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C17H15NO5/c1-23-15-10-11(6-8-14(15)19)7-9-16(20)18-13-5-3-2-4-12(13)17(21)22/h2-10,19H,1H3,(H,18,20)(H,21,22)/b9-7-
InChIKey
FSKJPXSYWQUVGO-CLFYSBASSA-N
Compound name
2-[[(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

493
Patents

313.09503 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10231 170.4
[M+Na]+ 336.08425 176.5
[M-H]- 312.08775 174.7
[M+NH4]+ 331.12885 182.9
[M+K]+ 352.05819 172.7
[M+H-H2O]+ 296.09229 162.5
[M+HCOO]- 358.09323 191.3
[M+CH3COO]- 372.10888 203.5
[M+Na-2H]- 334.06970 171.9
[M]+ 313.09448 170.9
[M]- 313.09558 170.9
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.