CID 9578583

27049-60-1

Structural Information

Molecular Formula
C13H18N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)/N=C/N2CCCCC2
InChI
InChI=1S/C13H18N2O2S/c1-12-5-7-13(8-6-12)18(16,17)14-11-15-9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3/b14-11+
InChIKey
ZZLIYYNDWYWBNB-SDNWHVSQSA-N
Compound name
(NE)-4-methyl-N-(piperidin-1-ylmethylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1089 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11618 159.6
[M+Na]+ 289.09812 165.4
[M-H]- 265.10162 165.5
[M+NH4]+ 284.14272 175.3
[M+K]+ 305.07206 161.8
[M+H-H2O]+ 249.10616 151.5
[M+HCOO]- 311.10710 175.5
[M+CH3COO]- 325.12275 196.4
[M+Na-2H]- 287.08357 163.2
[M]+ 266.10835 158.4
[M]- 266.10945 158.4
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.