CID 4991116

Ethyl 2-(naphthalene-1-sulfonamido)acetate

Structural Information

Molecular Formula
C14H15NO4S
SMILES
CCOC(=O)CNS(=O)(=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H15NO4S/c1-2-19-14(16)10-15-20(17,18)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,15H,2,10H2,1H3
InChIKey
ATLVMLQSSOSRBI-UHFFFAOYSA-N
Compound name
ethyl 2-(naphthalen-1-ylsulfonylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.07217 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07945 163.4
[M+Na]+ 316.06139 170.5
[M-H]- 292.06489 167.7
[M+NH4]+ 311.10599 179.8
[M+K]+ 332.03533 167.1
[M+H-H2O]+ 276.06943 156.7
[M+HCOO]- 338.07037 180.7
[M+CH3COO]- 352.08602 200.0
[M+Na-2H]- 314.04684 169.2
[M]+ 293.07162 168.2
[M]- 293.07272 168.2
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