CID 4055155

N-benzoyl-4-hydroxy-3-methoxy-phenylalanine

Structural Information

Molecular Formula
C17H17NO5
SMILES
COC1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C17H17NO5/c1-23-15-10-11(7-8-14(15)19)9-13(17(21)22)18-16(20)12-5-3-2-4-6-12/h2-8,10,13,19H,9H2,1H3,(H,18,20)(H,21,22)
InChIKey
ODTCNJWUFHCFJB-UHFFFAOYSA-N
Compound name
2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

315.1107 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11798 172.6
[M+Na]+ 338.09992 182.8
[M+NH4]+ 333.14452 177.6
[M+K]+ 354.07386 178.8
[M-H]- 314.10342 174.2
[M+Na-2H]- 336.08537 177.9
[M]+ 315.11015 174.1
[M]- 315.11125 174.1
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