CID 16050440

Schembl4322592

Structural Information

Molecular Formula
C15H17ClN2O3S
SMILES
C1CCC(CC1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C15H17ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h6-8,10,18H,1-5H2,(H2,17,19)
InChIKey
LMXOIDROFQESMA-UHFFFAOYSA-N
Compound name
5-chloro-3-cyclohexylsulfonyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

340.06485 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.07213 175.4
[M+Na]+ 363.05407 183.7
[M-H]- 339.05757 180.2
[M+NH4]+ 358.09867 190.7
[M+K]+ 379.02801 177.1
[M+H-H2O]+ 323.06211 170.1
[M+HCOO]- 385.06305 183.8
[M+CH3COO]- 399.07870 204.0
[M+Na-2H]- 361.03952 175.9
[M]+ 340.06430 175.7
[M]- 340.06540 175.7
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