CID 252536

Nsc74574

Structural Information

Molecular Formula
C9H14N2O3S
SMILES
CC(CNS(=O)(=O)C1=CC=C(C=C1)N)O
InChI
InChI=1S/C9H14N2O3S/c1-7(12)6-11-15(13,14)9-4-2-8(10)3-5-9/h2-5,7,11-12H,6,10H2,1H3
InChIKey
GFNYRIDFMJEJDP-UHFFFAOYSA-N
Compound name
4-amino-N-(2-hydroxypropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

230.07251 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07979 148.0
[M+Na]+ 253.06173 154.3
[M-H]- 229.06523 149.8
[M+NH4]+ 248.10633 164.7
[M+K]+ 269.03567 151.0
[M+H-H2O]+ 213.06977 141.8
[M+HCOO]- 275.07071 165.3
[M+CH3COO]- 289.08636 188.9
[M+Na-2H]- 251.04718 151.3
[M]+ 230.07196 147.6
[M]- 230.07306 147.6
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.