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]+ 283.07468 160.4
[M+Na]+ 305.05662 170.7
[M-H]- 281.06012 165.1
[M+NH4]+ 300.10122 178.4
[M+K]+ 321.03056 168.4
[M+H-H2O]+ 265.06466 154.8
[M+HCOO]- 327.06560 178.2
[M+CH3COO]- 341.08125 200.3
[M+Na-2H]- 303.04207 163.4
[M]+ 282.06685 167.6
[M]- 282.06795 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.