CID 49110

Ro 2-2219

Structural Information

Molecular Formula

C₁₃H₂₁N₃O₂

SMILES

CCN(CC)CC1=C(C=CC=N1)OC(=O)N(C)C

InChI

InChI=1S/C13H21N3O2/c1-5-16(6-2)10-11-12(8-7-9-14-11)18-13(17)15(3)4/h7-9H,5-6,10H2,1-4H3

InChIKey

RVJZBNZOYTYDPG-UHFFFAOYSA-N

Compound name

[2-(diethylaminomethyl)-3-pyridinyl] N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.16338 Da
Monoisotopic Mass: 1.2
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]+	252.170656	160.4
[M+Na]+	274.152598	165.7
[M-H]-	250.156104	165.2
[M+NH4]+	269.197203	177.0
[M+K]+	290.126538	166.4
[M+H-H2O]+	234.160640	151.9
[M+HCOO]-	296.161581	185.1
[M+CH3COO]-	310.177231	206.6
[M+Na-2H]-	272.138046	163.8
[M]+	251.16283142	165.1
[M]-	251.16392858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.