CID 481720

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

Structural Information

Molecular Formula
C22H24N2O6
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC(=O)NC2=CC=C(C=C2)OC)C(=O)C
InChI
InChI=1S/C22H24N2O6/c1-4-30-22(28)15-5-7-17(8-6-15)24-21(27)19(14(2)25)13-20(26)23-16-9-11-18(29-3)12-10-16/h5-12,19H,4,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKey
QCFLZIWXEDHAEB-UHFFFAOYSA-N
Compound name
ethyl 4-[[2-acetyl-4-(4-methoxyanilino)-4-oxobutanoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.16342 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.17070 197.8
[M+Na]+ 435.15264 199.9
[M-H]- 411.15614 203.6
[M+NH4]+ 430.19724 206.6
[M+K]+ 451.12658 199.0
[M+H-H2O]+ 395.16068 188.2
[M+HCOO]- 457.16162 218.4
[M+CH3COO]- 471.17727 230.4
[M+Na-2H]- 433.13809 195.6
[M]+ 412.16287 201.4
[M]- 412.16397 201.4
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.