CID 9587107

1-(1-(((4-methylphenyl)sulfonyl)imino)ethyl)piperidine

Structural Information

Molecular Formula
C14H20N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C)/N2CCCCC2
InChI
InChI=1S/C14H20N2O2S/c1-12-6-8-14(9-7-12)19(17,18)15-13(2)16-10-4-3-5-11-16/h6-9H,3-5,10-11H2,1-2H3/b15-13+
InChIKey
RESSYQALSCBLIC-FYWRMAATSA-N
Compound name
(NE)-4-methyl-N-(1-piperidin-1-ylethylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

280.12454 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13182 163.8
[M+Na]+ 303.11376 169.0
[M-H]- 279.11726 169.7
[M+NH4]+ 298.15836 179.0
[M+K]+ 319.08770 165.7
[M+H-H2O]+ 263.12180 155.8
[M+HCOO]- 325.12274 178.4
[M+CH3COO]- 339.13839 199.5
[M+Na-2H]- 301.09921 166.1
[M]+ 280.12399 162.4
[M]- 280.12509 162.4
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

No patent data available for this compound.