CID 16050442

Schembl4319380

Structural Information

Molecular Formula
C16H19ClN2O3S
SMILES
C1CCC(CC1)CS(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C16H19ClN2O3S/c17-11-6-7-13-12(8-11)15(14(19-13)16(18)20)23(21,22)9-10-4-2-1-3-5-10/h6-8,10,19H,1-5,9H2,(H2,18,20)
InChIKey
SBZYDNLNEYLQQV-UHFFFAOYSA-N
Compound name
5-chloro-3-(cyclohexylmethylsulfonyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

354.0805 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08778 179.8
[M+Na]+ 377.06972 187.6
[M-H]- 353.07322 184.3
[M+NH4]+ 372.11432 194.4
[M+K]+ 393.04366 180.8
[M+H-H2O]+ 337.07776 174.2
[M+HCOO]- 399.07870 187.8
[M+CH3COO]- 413.09435 207.0
[M+Na-2H]- 375.05517 179.7
[M]+ 354.07995 180.4
[M]- 354.08105 180.4
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