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]+ 282.157426 162.2
[M+Na]+ 304.139368 167.7
[M-H]- 280.142874 166.2
[M+NH4]+ 299.183973 177.7
[M+K]+ 320.113308 161.3
[M+H-H2O]+ 264.147410 158.5
[M+HCOO]- 326.148351 184.4
[M+CH3COO]- 340.164001 198.3
[M+Na-2H]- 302.124816 168.2
[M]+ 281.14960142 163.7
[M]- 281.15069858 163.7
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.