CID 6843

Propoxycaine

Structural Information

Molecular Formula

C₁₆H₂₆N₂O₃

SMILES

CCCOC1=C(C=CC(=C1)N)C(=O)OCCN(CC)CC

InChI

InChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3

InChIKey

CAJIGINSTLKQMM-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 4-amino-2-propoxybenzoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 302
References: 7966
Patents: 294.19434 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.20162	172.3
[M+Na]+	317.18356	181.1
[M+NH4]+	312.22816	178.2
[M+K]+	333.15750	175.6
[M-H]-	293.18706	174.1
[M+Na-2H]-	315.16901	176.0
[M]+	294.19379	173.7
[M]-	294.19489	173.7

Literature stripe

literature stripe

Patent stripe

patents stripe