CID 4633

Oxybuprocaine

Structural Information

Molecular Formula

C₁₇H₂₈N₂O₃

SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N

InChI

InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3

InChIKey

CMHHMUWAYWTMGS-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 4-amino-3-butoxybenzoate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 338
References: 11309
Patents: 308.21 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]+	309.21728	177.6
[M+Na]+	331.19922	181.6
[M-H]-	307.20272	181.2
[M+NH4]+	326.24382	192.4
[M+K]+	347.17316	180.4
[M+H-H2O]+	291.20726	169.3
[M+HCOO]-	353.20820	201.2
[M+CH3COO]-	367.22385	215.9
[M+Na-2H]-	329.18467	177.5
[M]+	308.20945	182.7
[M]-	308.21055	182.7

Literature stripe

literature stripe

Patent stripe

patents stripe