CID 2735724

4-chloro-n-cyclopropyl-n-piperidin-4-ylbenzenesulfonamide

Structural Information

Molecular Formula
C14H19ClN2O2S
SMILES
C1CC1N(C2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H19ClN2O2S/c15-11-1-5-14(6-2-11)20(18,19)17(12-3-4-12)13-7-9-16-10-8-13/h1-2,5-6,12-13,16H,3-4,7-10H2
InChIKey
VPHDHADTKGTAEZ-UHFFFAOYSA-N
Compound name
4-chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

314.08557 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09285 162.8
[M+Na]+ 337.07479 169.0
[M-H]- 313.07829 170.4
[M+NH4]+ 332.11939 171.8
[M+K]+ 353.04873 163.8
[M+H-H2O]+ 297.08283 155.6
[M+HCOO]- 359.08377 172.3
[M+CH3COO]- 373.09942 203.9
[M+Na-2H]- 335.06024 165.2
[M]+ 314.08502 163.6
[M]- 314.08612 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe