CID 16050438

Schembl4322534

Structural Information

Molecular Formula
C13H13ClN2O3S
SMILES
C1CC(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C13H13ClN2O3S/c14-7-4-5-10-9(6-7)12(11(16-10)13(15)17)20(18,19)8-2-1-3-8/h4-6,8,16H,1-3H2,(H2,15,17)
InChIKey
JGRXQKQNHZZZJU-UHFFFAOYSA-N
Compound name
5-chloro-3-cyclobutylsulfonyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

312.03354 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.04082 163.5
[M+Na]+ 335.02276 171.2
[M-H]- 311.02626 168.3
[M+NH4]+ 330.06736 173.3
[M+K]+ 350.99670 168.4
[M+H-H2O]+ 295.03080 152.3
[M+HCOO]- 357.03174 173.2
[M+CH3COO]- 371.04739 202.1
[M+Na-2H]- 333.00821 164.3
[M]+ 312.03299 174.7
[M]- 312.03409 174.7
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

patents stripe