CID 5354721

Ethyl 3-(((4-aminophenyl)sulfonyl)hydrazono)butanoate

Structural Information

Molecular Formula
C12H17N3O4S
SMILES
CCOC(=O)C/C(=N/NS(=O)(=O)C1=CC=C(C=C1)N)/C
InChI
InChI=1S/C12H17N3O4S/c1-3-19-12(16)8-9(2)14-15-20(17,18)11-6-4-10(13)5-7-11/h4-7,15H,3,8,13H2,1-2H3/b14-9+
InChIKey
OHLFTKZXQHPAJP-NTEUORMPSA-N
Compound name
ethyl (3E)-3-[(4-aminophenyl)sulfonylhydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.09396 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.101236 166.2
[M+Na]+ 322.083178 171.3
[M-H]- 298.086684 170.3
[M+NH4]+ 317.127783 180.9
[M+K]+ 338.057118 169.0
[M+H-H2O]+ 282.091220 158.4
[M+HCOO]- 344.092161 186.0
[M+CH3COO]- 358.107811 208.0
[M+Na-2H]- 320.068626 168.7
[M]+ 299.09341142 168.9
[M]- 299.09450858 168.9
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.