CID 52147

Ammonium, (2-(4-carboxy-3-hydroxycarbanilino)ethyl)diethylmethyl-, iodide, methyl ester

Structural Information

Molecular Formula
C16H25N2O4
SMILES
CC[N+](C)(CC)CCC(=O)NC1=CC(=C(C=C1)C(=O)OC)O
InChI
InChI=1S/C16H24N2O4/c1-5-18(3,6-2)10-9-15(20)17-12-7-8-13(14(19)11-12)16(21)22-4/h7-8,11H,5-6,9-10H2,1-4H3,(H-,17,19,20,21)/p+1
InChIKey
KIDJMXSIVQJACU-UHFFFAOYSA-O
Compound name
diethyl-[3-(3-hydroxy-4-methoxycarbonylanilino)-3-oxopropyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.18143 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18871 171.5
[M+Na]+ 332.17065 181.7
[M+NH4]+ 327.21525 177.6
[M+K]+ 348.14459 178.3
[M-H]- 308.17415 173.6
[M+Na-2H]- 330.15610 175.8
[M]+ 309.18088 173.6
[M]- 309.18198 173.6
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.