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 163.8
[M+Na]+ 306.07705 170.4
[M-H]- 282.08055 166.6
[M+NH4]+ 301.12165 179.4
[M+K]+ 322.05099 166.5
[M+H-H2O]+ 266.08509 157.1
[M+HCOO]- 328.08603 181.1
[M+CH3COO]- 342.10168 197.3
[M+Na-2H]- 304.06250 165.3
[M]+ 283.08728 167.4
[M]- 283.08838 167.4
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.