CID 203207

(((4-carboxy-3-hydroxyphenyl)carbamoyl)methyl)trimethylammonium iodide ethyl ester

Structural Information

Molecular Formula
C14H21N2O4
SMILES
CCOC(=O)C1=C(C=C(C=C1)NC(=O)C[N+](C)(C)C)O
InChI
InChI=1S/C14H20N2O4/c1-5-20-14(19)11-7-6-10(8-12(11)17)15-13(18)9-16(2,3)4/h6-8H,5,9H2,1-4H3,(H-,15,17,18,19)/p+1
InChIKey
BNKAURQTSKJWNT-UHFFFAOYSA-O
Compound name
[2-(4-ethoxycarbonyl-3-hydroxyanilino)-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.15015 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.15743 162.6
[M+Na]+ 304.13937 173.2
[M+NH4]+ 299.18397 169.1
[M+K]+ 320.11331 170.3
[M-H]- 280.14287 164.8
[M+Na-2H]- 302.12482 167.5
[M]+ 281.14960 164.8
[M]- 281.15070 164.8
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.