CID 3025492

103595-47-7

Structural Information

Molecular Formula
C16H26N2O5S
SMILES
COC1=C(C(=C(C=C1)S(=O)(=O)NCCN2CCCCC2)OC)OC
InChI
InChI=1S/C16H26N2O5S/c1-21-13-7-8-14(16(23-3)15(13)22-2)24(19,20)17-9-12-18-10-5-4-6-11-18/h7-8,17H,4-6,9-12H2,1-3H3
InChIKey
RQGBKJZFRGEKMI-UHFFFAOYSA-N
Compound name
2,3,4-trimethoxy-N-(2-piperidin-1-ylethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.15625 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.16353 181.7
[M+Na]+ 381.14547 186.3
[M-H]- 357.14897 186.1
[M+NH4]+ 376.19007 193.1
[M+K]+ 397.11941 183.6
[M+H-H2O]+ 341.15351 173.1
[M+HCOO]- 403.15445 195.5
[M+CH3COO]- 417.17010 213.3
[M+Na-2H]- 379.13092 183.2
[M]+ 358.15570 185.6
[M]- 358.15680 185.6
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.