CID 2991332

Brn 5116147

Structural Information

Molecular Formula
C14H20N2O4S
SMILES
CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2
InChI
InChI=1S/C14H20N2O4S/c1-2-20-14(17)15-12-6-8-13(9-7-12)21(18,19)16-10-4-3-5-11-16/h6-9H,2-5,10-11H2,1H3,(H,15,17)
InChIKey
YGNKWDJKRPVLGY-UHFFFAOYSA-N
Compound name
ethyl N-(4-piperidin-1-ylsulfonylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.11438 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12166 169.2
[M+Na]+ 335.10360 178.1
[M+NH4]+ 330.14820 175.1
[M+K]+ 351.07754 171.8
[M-H]- 311.10710 170.7
[M+Na-2H]- 333.08905 174.3
[M]+ 312.11383 171.0
[M]- 312.11493 171.0
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

No patent data available for this compound.