CID 7064084

5-(piperidine-1-sulfonyl)-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C13H18N2O2S
SMILES
C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NCC3
InChI
InChI=1S/C13H18N2O2S/c16-18(17,15-8-2-1-3-9-15)12-4-5-13-11(10-12)6-7-14-13/h4-5,10,14H,1-3,6-9H2
InChIKey
SKYMJLWQEUNATH-UHFFFAOYSA-N
Compound name
5-piperidin-1-ylsulfonyl-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.1089 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.116176 160.3
[M+Na]+ 289.098118 166.5
[M-H]- 265.101624 163.1
[M+NH4]+ 284.142723 176.5
[M+K]+ 305.072058 161.8
[M+H-H2O]+ 249.106160 153.4
[M+HCOO]- 311.107101 170.2
[M+CH3COO]- 325.122751 170.2
[M+Na-2H]- 287.083566 162.2
[M]+ 266.10835142 156.2
[M]- 266.10944858 156.2
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