CID 25323324

2-chloro-1-[5-(piperidine-1-sulfonyl)-2,3-dihydro-1h-indol-1-yl]ethan-1-one

Structural Information

Molecular Formula
C15H19ClN2O3S
SMILES
C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)CCl
InChI
InChI=1S/C15H19ClN2O3S/c16-11-15(19)18-9-6-12-10-13(4-5-14(12)18)22(20,21)17-7-2-1-3-8-17/h4-5,10H,1-3,6-9,11H2
InChIKey
IZXSYNQHRPHPDO-UHFFFAOYSA-N
Compound name
2-chloro-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.0805 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08778 178.1
[M+Na]+ 365.06972 184.9
[M-H]- 341.07322 182.3
[M+NH4]+ 360.11432 192.7
[M+K]+ 381.04366 179.9
[M+H-H2O]+ 325.07776 171.4
[M+HCOO]- 387.07870 183.4
[M+CH3COO]- 401.09435 203.4
[M+Na-2H]- 363.05517 177.6
[M]+ 342.07995 178.8
[M]- 342.08105 178.8
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.