CID 1722518

N-(3-methoxypropyl)benzenesulfonamide

Structural Information

Molecular Formula
C10H15NO3S
SMILES
COCCCNS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H15NO3S/c1-14-9-5-8-11-15(12,13)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKey
GKSUFCWGVJCSOK-UHFFFAOYSA-N
Compound name
N-(3-methoxypropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

34
Patents

229.07727 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08455 148.7
[M+Na]+ 252.06649 155.6
[M-H]- 228.06999 152.2
[M+NH4]+ 247.11109 166.8
[M+K]+ 268.04043 152.9
[M+H-H2O]+ 212.07453 142.3
[M+HCOO]- 274.07547 168.1
[M+CH3COO]- 288.09112 187.8
[M+Na-2H]- 250.05194 154.3
[M]+ 229.07672 152.7
[M]- 229.07782 152.7
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.