CID 481716

Ethyl 4-[(2-acetyl-4-anilino-4-oxo-butanoyl)amino]benzoate

Structural Information

Molecular Formula
C21H22N2O5
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC(=O)NC2=CC=CC=C2)C(=O)C
InChI
InChI=1S/C21H22N2O5/c1-3-28-21(27)15-9-11-17(12-10-15)23-20(26)18(14(2)24)13-19(25)22-16-7-5-4-6-8-16/h4-12,18H,3,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKey
YWBAUQSSEKXMOS-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-acetyl-4-anilino-4-oxobutanoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.15286 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16014 191.3
[M+Na]+ 405.14208 193.2
[M-H]- 381.14558 196.9
[M+NH4]+ 400.18668 201.1
[M+K]+ 421.11602 191.5
[M+H-H2O]+ 365.15012 181.8
[M+HCOO]- 427.15106 212.1
[M+CH3COO]- 441.16671 224.0
[M+Na-2H]- 403.12753 190.0
[M]+ 382.15231 192.6
[M]- 382.15341 192.6
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.