CID 129318623

Oxybuprocaine n-oxide dihydrochloride

Structural Information

Molecular Formula
C17H28N2O4
SMILES
CCCCOC1=C(C=CC(=C1)C(=O)OCC[N+](CC)(CC)[O-])N
InChI
InChI=1S/C17H28N2O4/c1-4-7-11-22-16-13-14(8-9-15(16)18)17(20)23-12-10-19(21,5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3
InChIKey
RPJGATIKCUFREY-UHFFFAOYSA-N
Compound name
2-(4-amino-3-butoxybenzoyl)oxy-N,N-diethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.2049 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21218 178.6
[M+Na]+ 347.19412 182.5
[M-H]- 323.19762 180.9
[M+NH4]+ 342.23872 192.0
[M+K]+ 363.16806 175.8
[M+H-H2O]+ 307.20216 176.0
[M+HCOO]- 369.20310 200.7
[M+CH3COO]- 383.21875 206.9
[M+Na-2H]- 345.17957 182.8
[M]+ 324.20435 181.0
[M]- 324.20545 181.0
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

No patent data available for this compound.