CID 208539

32411-01-1

Structural Information

Molecular Formula
C16H28N2O3S
SMILES
CCCCOC1=CC=C(C=C1)S(=O)(=O)NCCN(CC)CC
InChI
InChI=1S/C16H28N2O3S/c1-4-7-14-21-15-8-10-16(11-9-15)22(19,20)17-12-13-18(5-2)6-3/h8-11,17H,4-7,12-14H2,1-3H3
InChIKey
CTQSTROQEQGBPY-UHFFFAOYSA-N
Compound name
4-butoxy-N-[2-(diethylamino)ethyl]benzenesulfonamide
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 178.5
[M+Na]+ 351.17129 182.7
[M-H]- 327.17479 182.4
[M+NH4]+ 346.21589 193.0
[M+K]+ 367.14523 179.9
[M+H-H2O]+ 311.17933 170.4
[M+HCOO]- 373.18027 197.2
[M+CH3COO]- 387.19592 215.3
[M+Na-2H]- 349.15674 180.4
[M]+ 328.18152 185.4
[M]- 328.18262 185.4
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.