CID 219113

Parethoxycaine methobromide

Structural Information

Molecular Formula
C16H26NO3
SMILES
CC[N+](C)(CC)CCOC(=O)C1=CC=CC=C1OCC
InChI
InChI=1S/C16H26NO3/c1-5-17(4,6-2)12-13-20-16(18)14-10-8-9-11-15(14)19-7-3/h8-11H,5-7,12-13H2,1-4H3/q+1
InChIKey
OGQHADFBTDLWDT-UHFFFAOYSA-N
Compound name
2-(2-ethoxybenzoyl)oxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19125 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.19853 167.6
[M+Na]+ 303.18047 172.7
[M-H]- 279.18397 172.2
[M+NH4]+ 298.22507 184.1
[M+K]+ 319.15441 166.1
[M+H-H2O]+ 263.18851 163.4
[M+HCOO]- 325.18945 190.2
[M+CH3COO]- 339.20510 199.8
[M+Na-2H]- 301.16592 174.1
[M]+ 280.19070 172.2
[M]- 280.19180 172.2
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

No patent data available for this compound.