CID 16227330

1009703-91-6

Structural Information

Molecular Formula
C12H16N2O5S
SMILES
CC(C(=O)O)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C
InChI
InChI=1S/C12H16N2O5S/c1-8(12(16)17)13-11(15)9-4-6-10(7-5-9)20(18,19)14(2)3/h4-8H,1-3H3,(H,13,15)(H,16,17)
InChIKey
VSEQOHQIPUQVGA-UHFFFAOYSA-N
Compound name
2-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.078 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08528 165.2
[M+Na]+ 323.06722 171.5
[M+NH4]+ 318.11182 169.3
[M+K]+ 339.04116 168.7
[M-H]- 299.07072 163.9
[M+Na-2H]- 321.05267 167.6
[M]+ 300.07745 165.6
[M]- 300.07855 165.6
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.