CID 6433839

Brn 2744505

Structural Information

Molecular Formula
C13H17NO4S
SMILES
CCCCOC(=O)/C=C/C1=CC=CC=C1S(=O)(=O)N
InChI
InChI=1S/C13H17NO4S/c1-2-3-10-18-13(15)9-8-11-6-4-5-7-12(11)19(14,16)17/h4-9H,2-3,10H2,1H3,(H2,14,16,17)/b9-8+
InChIKey
LFESUUHOYPGPSR-CMDGGOBGSA-N
Compound name
butyl (E)-3-(2-sulfamoylphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08783 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09511 164.9
[M+Na]+ 306.07705 173.6
[M+NH4]+ 301.12165 170.2
[M+K]+ 322.05099 167.2
[M-H]- 282.08055 164.4
[M+Na-2H]- 304.06250 168.0
[M]+ 283.08728 166.1
[M]- 283.08838 166.1
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.