CID 131750860

N-feruloylglycyl-l-phenylalanine

Structural Information

Molecular Formula
C21H22N2O6
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)O)O
InChI
InChI=1S/C21H22N2O6/c1-29-18-12-15(7-9-17(18)24)8-10-19(25)22-13-20(26)23-16(21(27)28)11-14-5-3-2-4-6-14/h2-10,12,16,24H,11,13H2,1H3,(H,22,25)(H,23,26)(H,27,28)/b10-8+
InChIKey
RMZPPYWIJILVLC-CSKARUKUSA-N
Compound name
2-[[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1478 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.15508 193.4
[M+Na]+ 421.13702 195.3
[M-H]- 397.14052 196.5
[M+NH4]+ 416.18162 201.4
[M+K]+ 437.11096 192.4
[M+H-H2O]+ 381.14506 184.2
[M+HCOO]- 443.14600 212.3
[M+CH3COO]- 457.16165 222.3
[M+Na-2H]- 419.12247 191.9
[M]+ 398.14725 193.5
[M]- 398.14835 193.5
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.