CID 3025494

103595-49-9

Structural Information

Molecular Formula
C15H24N2O5S
SMILES
COC1=C(C(=C(C=C1)S(=O)(=O)NCCN2CCCC2)OC)OC
InChI
InChI=1S/C15H24N2O5S/c1-20-12-6-7-13(15(22-3)14(12)21-2)23(18,19)16-8-11-17-9-4-5-10-17/h6-7,16H,4-5,8-11H2,1-3H3
InChIKey
KGKFOLPOJITQOL-UHFFFAOYSA-N
Compound name
2,3,4-trimethoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14788 178.6
[M+Na]+ 367.12982 184.6
[M-H]- 343.13332 183.8
[M+NH4]+ 362.17442 192.6
[M+K]+ 383.10376 182.3
[M+H-H2O]+ 327.13786 171.1
[M+HCOO]- 389.13880 194.9
[M+CH3COO]- 403.15445 209.7
[M+Na-2H]- 365.11527 179.1
[M]+ 344.14005 184.4
[M]- 344.14115 184.4
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.