CID 47082

Bis(3-dimethylaminophenyl) carbonate dihydrochloride

Structural Information

Molecular Formula

C₁₇H₂₀N₂O₃

SMILES

CN(C)C1=CC(=CC=C1)OC(=O)OC2=CC=CC(=C2)N(C)C

InChI

InChI=1S/C17H20N2O3/c1-18(2)13-7-5-9-15(11-13)21-17(20)22-16-10-6-8-14(12-16)19(3)4/h5-12H,1-4H3

InChIKey

ZIWBVNPFNMNHSF-UHFFFAOYSA-N

Compound name

bis[3-(dimethylamino)phenyl] carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 300.1474 Da
Monoisotopic Mass: 3.9
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]+	301.154676	170.7
[M+Na]+	323.136618	176.2
[M-H]-	299.140124	180.2
[M+NH4]+	318.181223	186.3
[M+K]+	339.110558	176.2
[M+H-H2O]+	283.144660	161.6
[M+HCOO]-	345.145601	196.9
[M+CH3COO]-	359.161251	214.9
[M+Na-2H]-	321.122066	173.7
[M]+	300.14685142	175.4
[M]-	300.14794858	175.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe