CID 596694

4'-(ethoxycarbonyl)glutaranilic acid

Structural Information

Molecular Formula
C14H17NO5
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCC(=O)O
InChI
InChI=1S/C14H17NO5/c1-2-20-14(19)10-6-8-11(9-7-10)15-12(16)4-3-5-13(17)18/h6-9H,2-5H2,1H3,(H,15,16)(H,17,18)
InChIKey
YEPCOXMLVUHOEG-UHFFFAOYSA-N
Compound name
5-(4-ethoxycarbonylanilino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

279.1107 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 163.3
[M+Na]+ 302.09992 167.9
[M-H]- 278.10342 165.0
[M+NH4]+ 297.14452 177.8
[M+K]+ 318.07386 166.5
[M+H-H2O]+ 262.10796 156.2
[M+HCOO]- 324.10890 184.3
[M+CH3COO]- 338.12455 199.1
[M+Na-2H]- 300.08537 164.3
[M]+ 279.11015 165.7
[M]- 279.11125 165.7
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

patents stripe