CID 350282

4'-(ethoxycarbonyl)succinanilic acid

Structural Information

Molecular Formula
C13H15NO5
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)O
InChI
InChI=1S/C13H15NO5/c1-2-19-13(18)9-3-5-10(6-4-9)14-11(15)7-8-12(16)17/h3-6H,2,7-8H2,1H3,(H,14,15)(H,16,17)
InChIKey
SOHDJPBMTCUKLK-UHFFFAOYSA-N
Compound name
4-(4-ethoxycarbonylanilino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

265.09503 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10231 158.6
[M+Na]+ 288.08425 163.7
[M-H]- 264.08775 160.6
[M+NH4]+ 283.12885 173.8
[M+K]+ 304.05819 162.5
[M+H-H2O]+ 248.09229 151.7
[M+HCOO]- 310.09323 180.1
[M+CH3COO]- 324.10888 196.1
[M+Na-2H]- 286.06970 160.2
[M]+ 265.09448 160.7
[M]- 265.09558 160.7
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