CID 129318530

Proxymetacaine n-oxide dihydrochloride

Structural Information

Molecular Formula
C16H26N2O4
SMILES
CCCOC1=C(C=C(C=C1)C(=O)OCC[N+](CC)(CC)[O-])N
InChI
InChI=1S/C16H26N2O4/c1-4-10-21-15-8-7-13(12-14(15)17)16(19)22-11-9-18(20,5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
InChIKey
GGZYMHLVWIPXOF-UHFFFAOYSA-N
Compound name
2-(3-amino-4-propoxybenzoyl)oxy-N,N-diethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.18927 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19655 173.8
[M+Na]+ 333.17849 178.2
[M-H]- 309.18199 176.4
[M+NH4]+ 328.22309 187.9
[M+K]+ 349.15243 171.7
[M+H-H2O]+ 293.18653 171.5
[M+HCOO]- 355.18747 196.3
[M+CH3COO]- 369.20312 203.8
[M+Na-2H]- 331.16394 178.6
[M]+ 310.18872 175.9
[M]- 310.18982 175.9
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.