CID 208534

Brn 2757607

Structural Information

Molecular Formula
C16H28N2O3S
SMILES
CCCOC1=CC=C(C=C1)S(=O)(=O)NCCCN(CC)CC
InChI
InChI=1S/C16H28N2O3S/c1-4-14-21-15-8-10-16(11-9-15)22(19,20)17-12-7-13-18(5-2)6-3/h8-11,17H,4-7,12-14H2,1-3H3
InChIKey
TYPVFWXTSAJAGJ-UHFFFAOYSA-N
Compound name
N-[3-(diethylamino)propyl]-4-propoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.18207 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18935 179.1
[M+Na]+ 351.17129 187.1
[M+NH4]+ 346.21589 185.0
[M+K]+ 367.14523 179.6
[M-H]- 327.17479 180.4
[M+Na-2H]- 349.15674 183.0
[M]+ 328.18152 180.8
[M]- 328.18262 180.8
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.