CID 93709

Piperidine, 1-(2-(3,4,5-trimethoxyphenyl)sulfonylethyl)-

Structural Information

Molecular Formula
C16H25NO5S
SMILES
COC1=CC(=CC(=C1OC)OC)S(=O)(=O)CCN2CCCCC2
InChI
InChI=1S/C16H25NO5S/c1-20-14-11-13(12-15(21-2)16(14)22-3)23(18,19)10-9-17-7-5-4-6-8-17/h11-12H,4-10H2,1-3H3
InChIKey
BYJLFUFCSNYZLF-UHFFFAOYSA-N
Compound name
1-[2-(3,4,5-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 178.6
[M+Na]+ 366.13458 184.1
[M-H]- 342.13808 183.2
[M+NH4]+ 361.17918 191.0
[M+K]+ 382.10852 181.6
[M+H-H2O]+ 326.14262 170.4
[M+HCOO]- 388.14356 191.4
[M+CH3COO]- 402.15921 208.1
[M+Na-2H]- 364.12003 179.3
[M]+ 343.14481 183.2
[M]- 343.14591 183.2
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.