CID 3015760

N-(2-hydroxypropyl)benzenesulfonamide

Structural Information

Molecular Formula
C9H13NO3S
SMILES
CC(CNS(=O)(=O)C1=CC=CC=C1)O
InChI
InChI=1S/C9H13NO3S/c1-8(11)7-10-14(12,13)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3
InChIKey
DHRXPBUFQGUINE-UHFFFAOYSA-N
Compound name
N-(2-hydroxypropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1751
Patents

215.06161 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06889 144.6
[M+Na]+ 238.05083 151.1
[M-H]- 214.05433 146.9
[M+NH4]+ 233.09543 162.4
[M+K]+ 254.02477 148.2
[M+H-H2O]+ 198.05887 138.7
[M+HCOO]- 260.05981 161.7
[M+CH3COO]- 274.07546 183.0
[M+Na-2H]- 236.03628 149.1
[M]+ 215.06106 145.7
[M]- 215.06216 145.7
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

patents stripe