CID 172818

Ethyl 3-[[5-(acetylamino)-2-methoxyphenyl]amino]butyrate

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CCOC(=O)CC(C)NC1=C(C=CC(=C1)NC(=O)C)OC
InChI
InChI=1S/C15H22N2O4/c1-5-21-15(19)8-10(2)16-13-9-12(17-11(3)18)6-7-14(13)20-4/h6-7,9-10,16H,5,8H2,1-4H3,(H,17,18)
InChIKey
RSQNACZIAAOUOS-UHFFFAOYSA-N
Compound name
ethyl 3-(5-acetamido-2-methoxyanilino)butanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3
Patents

294.15796 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 170.0
[M+Na]+ 317.14718 174.4
[M-H]- 293.15068 173.2
[M+NH4]+ 312.19178 184.7
[M+K]+ 333.12112 173.8
[M+H-H2O]+ 277.15522 162.3
[M+HCOO]- 339.15616 192.8
[M+CH3COO]- 353.17181 209.6
[M+Na-2H]- 315.13263 170.5
[M]+ 294.15741 173.5
[M]- 294.15851 173.5
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