CID 73012784

4-chloro-n-[1-[2-(4-nitrophenyl)ethyl]-2-piperidinylidene]benzenesulfonamide

Structural Information

Molecular Formula
C19H20ClN3O4S
SMILES
C1CCN(C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)C1)CCC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H20ClN3O4S/c20-16-6-10-18(11-7-16)28(26,27)21-19-3-1-2-13-22(19)14-12-15-4-8-17(9-5-15)23(24)25/h4-11H,1-3,12-14H2
InChIKey
BKRSVROQVRTSND-UHFFFAOYSA-N
Compound name
4-chloro-N-[1-[2-(4-nitrophenyl)ethyl]piperidin-2-ylidene]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

42
Patents

421.0863 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.09358 196.5
[M+Na]+ 444.07552 200.2
[M-H]- 420.07902 204.9
[M+NH4]+ 439.12012 205.0
[M+K]+ 460.04946 190.1
[M+H-H2O]+ 404.08356 191.4
[M+HCOO]- 466.08450 207.8
[M+CH3COO]- 480.10015 217.4
[M+Na-2H]- 442.06097 200.6
[M]+ 421.08575 195.7
[M]- 421.08685 195.7
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