CID 73012785

93100-99-3

Structural Information

Molecular Formula
C19H21ClN2O2S
SMILES
C1CCN(C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)C1)CCC3=CC=CC=C3
InChI
InChI=1S/C19H21ClN2O2S/c20-17-9-11-18(12-10-17)25(23,24)21-19-8-4-5-14-22(19)15-13-16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8,13-15H2
InChIKey
VJHXSSVOCOBVMI-UHFFFAOYSA-N
Compound name
4-chloro-N-[1-(2-phenylethyl)piperidin-2-ylidene]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

376.10123 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10851 187.3
[M+Na]+ 399.09045 193.5
[M-H]- 375.09395 196.0
[M+NH4]+ 394.13505 199.1
[M+K]+ 415.06439 186.5
[M+H-H2O]+ 359.09849 178.1
[M+HCOO]- 421.09943 198.1
[M+CH3COO]- 435.11508 215.0
[M+Na-2H]- 397.07590 189.5
[M]+ 376.10068 188.2
[M]- 376.10178 188.2
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