CID 3018879

79817-62-2

Structural Information

Molecular Formula
C10H14N2O6S
SMILES
COCCCNS(=O)(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-]
InChI
InChI=1S/C10H14N2O6S/c1-18-6-2-5-11-19(16,17)8-3-4-10(13)9(7-8)12(14)15/h3-4,7,11,13H,2,5-6H2,1H3
InChIKey
BPBAFZGGKPLCHG-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(3-methoxypropyl)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.05725 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.064526 158.3
[M+Na]+ 313.046468 163.9
[M-H]- 289.049974 160.5
[M+NH4]+ 308.091073 172.1
[M+K]+ 329.020408 157.0
[M+H-H2O]+ 273.054510 156.0
[M+HCOO]- 335.055451 177.1
[M+CH3COO]- 349.071101 190.6
[M+Na-2H]- 311.031916 164.8
[M]+ 290.05670142 160.3
[M]- 290.05779858 160.3
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.