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 170.0
[M+Na]+ 335.10360 174.2
[M-H]- 311.10710 174.3
[M+NH4]+ 330.14820 182.8
[M+K]+ 351.07754 171.2
[M+H-H2O]+ 295.11164 161.9
[M+HCOO]- 357.11258 183.5
[M+CH3COO]- 371.12823 201.4
[M+Na-2H]- 333.08905 172.4
[M]+ 312.11383 169.6
[M]- 312.11493 169.6
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.