CID 117638

25790-28-7

Structural Information

Molecular Formula

C₁₅H₂₁NO₆

SMILES

CC1=CC(=CC=C1)N(CCOC(=O)OC)CCOC(=O)OC

InChI

InChI=1S/C15H21NO6/c1-12-5-4-6-13(11-12)16(7-9-21-14(17)19-2)8-10-22-15(18)20-3/h4-6,11H,7-10H2,1-3H3

InChIKey

AIKNSKGNNYHMPF-UHFFFAOYSA-N

Compound name

2-[N-(2-methoxycarbonyloxyethyl)-3-methylanilino]ethyl methyl carbonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 311.1369 Da
Monoisotopic Mass: 3.0
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]+	312.144176	171.3
[M+Na]+	334.126118	176.1
[M-H]-	310.129624	175.8
[M+NH4]+	329.170723	186.2
[M+K]+	350.100058	177.5
[M+H-H2O]+	294.134160	163.3
[M+HCOO]-	356.135101	195.2
[M+CH3COO]-	370.150751	208.5
[M+Na-2H]-	332.111566	173.0
[M]+	311.13635142	180.0
[M]-	311.13744858	180.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe