CID 3025500

103595-58-0

Structural Information

Molecular Formula
C16H25NO5S
SMILES
COC1=C(C(=C(C=C1)S(=O)(=O)CCN2CCCCC2)OC)OC
InChI
InChI=1S/C16H25NO5S/c1-20-13-7-8-14(16(22-3)15(13)21-2)23(18,19)12-11-17-9-5-4-6-10-17/h7-8H,4-6,9-12H2,1-3H3
InChIKey
YWRSIBHGMIKOQM-UHFFFAOYSA-N
Compound name
1-[2-(2,3,4-trimethoxyphenyl)sulfonylethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14536 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15264 178.8
[M+Na]+ 366.13458 189.1
[M+NH4]+ 361.17918 184.7
[M+K]+ 382.10852 182.1
[M-H]- 342.13808 180.0
[M+Na-2H]- 364.12003 183.1
[M]+ 343.14481 180.9
[M]- 343.14591 180.9
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.