CID 3046715

62564-32-3

Structural Information

Molecular Formula
C14H23ClN2O3S
SMILES
CCN(CC)CCCNS(=O)(=O)C1=C(C=CC(=C1)Cl)OC
InChI
InChI=1S/C14H23ClN2O3S/c1-4-17(5-2)10-6-9-16-21(18,19)14-11-12(15)7-8-13(14)20-3/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKey
UOKSDUWXPICEBF-UHFFFAOYSA-N
Compound name
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1118 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11908 175.7
[M+Na]+ 357.10102 182.2
[M-H]- 333.10452 180.5
[M+NH4]+ 352.14562 191.2
[M+K]+ 373.07496 178.2
[M+H-H2O]+ 317.10906 169.2
[M+HCOO]- 379.11000 190.5
[M+CH3COO]- 393.12565 214.2
[M+Na-2H]- 355.08647 177.5
[M]+ 334.11125 184.2
[M]- 334.11235 184.2
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.