CID 2329631

3-[4-(diethylsulfamoyl)phenyl]prop-2-enoic acid

Structural Information

Molecular Formula
C13H17NO4S
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)O
InChI
InChI=1S/C13H17NO4S/c1-3-14(4-2)19(17,18)12-8-5-11(6-9-12)7-10-13(15)16/h5-10H,3-4H2,1-2H3,(H,15,16)/b10-7+
InChIKey
RDAJKOMQNAPTKQ-JXMROGBWSA-N
Compound name
(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

283.08783 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09511 162.8
[M+Na]+ 306.07705 169.0
[M-H]- 282.08055 166.2
[M+NH4]+ 301.12165 178.5
[M+K]+ 322.05099 166.0
[M+H-H2O]+ 266.08509 156.2
[M+HCOO]- 328.08603 179.6
[M+CH3COO]- 342.10168 199.4
[M+Na-2H]- 304.06250 164.3
[M]+ 283.08728 166.9
[M]- 283.08838 166.9
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.