CID 94302

Npg-gma

Structural Information

Molecular Formula
C15H19NO5
SMILES
CC(=C)C(=O)OCC(CN(CC(=O)O)C1=CC=CC=C1)O
InChI
InChI=1S/C15H19NO5/c1-11(2)15(20)21-10-13(17)8-16(9-14(18)19)12-6-4-3-5-7-12/h3-7,13,17H,1,8-10H2,2H3,(H,18,19)
InChIKey
GPLACOONWGSIIP-UHFFFAOYSA-N
Compound name
2-(N-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]anilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

757
Patents

293.1263 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.133576 168.3
[M+Na]+ 316.115518 171.0
[M-H]- 292.119024 169.6
[M+NH4]+ 311.160123 181.7
[M+K]+ 332.089458 170.5
[M+H-H2O]+ 276.123560 161.1
[M+HCOO]- 338.124501 187.0
[M+CH3COO]- 352.140151 203.4
[M+Na-2H]- 314.100966 167.1
[M]+ 293.12575142 169.5
[M]- 293.12684858 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe