CID 208537

32410-99-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.18207 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18935 178.7
[M+Na]+ 351.17129 182.6
[M-H]- 327.17479 182.7
[M+NH4]+ 346.21589 193.1
[M+K]+ 367.14523 180.4
[M+H-H2O]+ 311.17933 170.7
[M+HCOO]- 373.18027 196.4
[M+CH3COO]- 387.19592 216.2
[M+Na-2H]- 349.15674 179.5
[M]+ 328.18152 185.0
[M]- 328.18262 185.0
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.