CID 3078350

120729-92-2

Structural Information

Molecular Formula
C12H14N2O4S
SMILES
CN1C=C(C2=C1C=CC(=C2)S(=O)(=O)N(C)C)C(=O)O
InChI
InChI=1S/C12H14N2O4S/c1-13(2)19(17,18)8-4-5-11-9(6-8)10(12(15)16)7-14(11)3/h4-7H,1-3H3,(H,15,16)
InChIKey
WGCMWDHTTHGNJI-UHFFFAOYSA-N
Compound name
5-(dimethylsulfamoyl)-1-methylindole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0674 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.074676 160.4
[M+Na]+ 305.056618 170.7
[M-H]- 281.060124 165.1
[M+NH4]+ 300.101223 178.4
[M+K]+ 321.030558 168.4
[M+H-H2O]+ 265.064660 154.8
[M+HCOO]- 327.065601 178.2
[M+CH3COO]- 341.081251 200.3
[M+Na-2H]- 303.042066 163.4
[M]+ 282.06685142 167.6
[M]- 282.06794858 167.6
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.