CID 109210

68189-29-7

Structural Information

Molecular Formula
C13H16N2O3S
SMILES
CC(CNS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)N)O
InChI
InChI=1S/C13H16N2O3S/c1-9(16)8-15-19(17,18)13-5-3-10-6-12(14)4-2-11(10)7-13/h2-7,9,15-16H,8,14H2,1H3
InChIKey
WOSPGWVMEJFZEO-UHFFFAOYSA-N
Compound name
6-amino-N-(2-hydroxypropyl)naphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.08817 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09545 160.2
[M+Na]+ 303.07739 169.9
[M+NH4]+ 298.12199 167.1
[M+K]+ 319.05133 163.6
[M-H]- 279.08089 161.7
[M+Na-2H]- 301.06284 164.9
[M]+ 280.08762 162.3
[M]- 280.08872 162.3
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.