CID 116793

70682-63-2

Structural Information

Molecular Formula
C13H15NO4S
SMILES
CN(CCO)S(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)O
InChI
InChI=1S/C13H15NO4S/c1-14(6-7-15)19(17,18)13-5-3-10-8-12(16)4-2-11(10)9-13/h2-5,8-9,15-16H,6-7H2,1H3
InChIKey
BNGPSCLHKGSOLB-UHFFFAOYSA-N
Compound name
6-hydroxy-N-(2-hydroxyethyl)-N-methylnaphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.07217 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07945 159.2
[M+Na]+ 304.06139 166.8
[M-H]- 280.06489 162.5
[M+NH4]+ 299.10599 175.6
[M+K]+ 320.03533 163.4
[M+H-H2O]+ 264.06943 153.1
[M+HCOO]- 326.07037 175.1
[M+CH3COO]- 340.08602 197.3
[M+Na-2H]- 302.04684 164.5
[M]+ 281.07162 163.0
[M]- 281.07272 163.0
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