CID 481724

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

Structural Information

Molecular Formula
C23H26N2O6
SMILES
CCOC1=CC=C(C=C1)NC(=O)CC(C(=O)C)C(=O)NC2=CC=C(C=C2)C(=O)OCC
InChI
InChI=1S/C23H26N2O6/c1-4-30-19-12-10-17(11-13-19)24-21(27)14-20(15(3)26)22(28)25-18-8-6-16(7-9-18)23(29)31-5-2/h6-13,20H,4-5,14H2,1-3H3,(H,24,27)(H,25,28)
InChIKey
DQVDFEYBIFTNNV-UHFFFAOYSA-N
Compound name
ethyl 4-[[2-acetyl-4-(4-ethoxyanilino)-4-oxobutanoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.17908 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.18636 202.4
[M+Na]+ 449.16830 204.0
[M-H]- 425.17180 207.9
[M+NH4]+ 444.21290 210.5
[M+K]+ 465.14224 202.9
[M+H-H2O]+ 409.17634 192.5
[M+HCOO]- 471.17728 222.6
[M+CH3COO]- 485.19293 233.3
[M+Na-2H]- 447.15375 199.6
[M]+ 426.17853 206.2
[M]- 426.17963 206.2
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.