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]+ 230.084546 148.7
[M+Na]+ 252.066488 155.6
[M-H]- 228.069994 152.2
[M+NH4]+ 247.111093 166.8
[M+K]+ 268.040428 152.9
[M+H-H2O]+ 212.074530 142.3
[M+HCOO]- 274.075471 168.1
[M+CH3COO]- 288.091121 187.8
[M+Na-2H]- 250.051936 154.3
[M]+ 229.07672142 152.7
[M]- 229.07781858 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

literature stripe

Patent stripe

patents stripe