CID 13373555

93101-02-1

Structural Information

Molecular Formula
C19H20ClN3O4S
SMILES
C1CCN(/C(=N/S(=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/b21-19+
InChIKey
BKRSVROQVRTSND-XUTLUUPISA-N
Compound name
(NE)-4-chloro-N-[1-[2-(4-nitrophenyl)ethyl]piperidin-2-ylidene]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
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 190.2
[M+Na]+ 444.07552 203.7
[M+NH4]+ 439.12012 197.0
[M+K]+ 460.04946 196.8
[M-H]- 420.07902 196.6
[M+Na-2H]- 442.06097 198.8
[M]+ 421.08575 194.5
[M]- 421.08685 194.5
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