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]+ 284.095106 162.8
[M+Na]+ 306.077048 169.0
[M-H]- 282.080554 166.2
[M+NH4]+ 301.121653 178.5
[M+K]+ 322.050988 166.0
[M+H-H2O]+ 266.085090 156.2
[M+HCOO]- 328.086031 179.6
[M+CH3COO]- 342.101681 199.4
[M+Na-2H]- 304.062496 164.3
[M]+ 283.08728142 166.9
[M]- 283.08837858 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.