CID 4961701

4-ethoxy-3-(piperidine-1-sulfonyl)aniline

Structural Information

Molecular Formula
C13H20N2O3S
SMILES
CCOC1=C(C=C(C=C1)N)S(=O)(=O)N2CCCCC2
InChI
InChI=1S/C13H20N2O3S/c1-2-18-12-7-6-11(14)10-13(12)19(16,17)15-8-4-3-5-9-15/h6-7,10H,2-5,8-9,14H2,1H3
InChIKey
JPIYWOZRGGDLRX-UHFFFAOYSA-N
Compound name
4-ethoxy-3-piperidin-1-ylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.11948 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12676 163.7
[M+Na]+ 307.10870 169.4
[M-H]- 283.11220 167.9
[M+NH4]+ 302.15330 177.9
[M+K]+ 323.08264 165.7
[M+H-H2O]+ 267.11674 156.0
[M+HCOO]- 329.11768 177.5
[M+CH3COO]- 343.13333 198.1
[M+Na-2H]- 305.09415 165.6
[M]+ 284.11893 162.4
[M]- 284.12003 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.