CID 487098

Ethyl 4-[4-(4-aminophenyl)sulfonylanilino]-4-oxo-butanoate

Structural Information

Molecular Formula
C18H20N2O5S
SMILES
CCOC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C18H20N2O5S/c1-2-25-18(22)12-11-17(21)20-14-5-9-16(10-6-14)26(23,24)15-7-3-13(19)4-8-15/h3-10H,2,11-12,19H2,1H3,(H,20,21)
InChIKey
AEWSCBXMTJOEQR-UHFFFAOYSA-N
Compound name
ethyl 4-[4-(4-aminophenyl)sulfonylanilino]-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.10928 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.11656 186.7
[M+Na]+ 399.09850 191.5
[M-H]- 375.10200 192.4
[M+NH4]+ 394.14310 197.6
[M+K]+ 415.07244 187.6
[M+H-H2O]+ 359.10654 178.0
[M+HCOO]- 421.10748 203.8
[M+CH3COO]- 435.12313 217.8
[M+Na-2H]- 397.08395 187.8
[M]+ 376.10873 189.8
[M]- 376.10983 189.8
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

No patent data available for this compound.