CID 6433839

Cinnamic acid, o-sulfamoyl-, butyl ester, (e)-

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]+ 284.095106 163.8
[M+Na]+ 306.077048 170.4
[M-H]- 282.080554 166.6
[M+NH4]+ 301.121653 179.4
[M+K]+ 322.050988 166.5
[M+H-H2O]+ 266.085090 157.1
[M+HCOO]- 328.086031 181.1
[M+CH3COO]- 342.101681 197.3
[M+Na-2H]- 304.062496 165.3
[M]+ 283.08728142 167.4
[M]- 283.08837858 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.