CID 47216

64059-12-7

Structural Information

Molecular Formula

C₁₂H₁₉N₃O₂

SMILES

CNC(=O)OC1=C(C=CC(=C1)N(C)C)N(C)C

InChI

InChI=1S/C12H19N3O2/c1-13-12(16)17-11-8-9(14(2)3)6-7-10(11)15(4)5/h6-8H,1-5H3,(H,13,16)

InChIKey

BGSKOJWVIHTCGR-UHFFFAOYSA-N

Compound name

[2,5-bis(dimethylamino)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.14772 Da
Monoisotopic Mass: 1.4
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]+	238.154996	155.6
[M+Na]+	260.136938	161.4
[M-H]-	236.140444	162.3
[M+NH4]+	255.181543	174.1
[M+K]+	276.110878	162.6
[M+H-H2O]+	220.144980	148.0
[M+HCOO]-	282.145921	182.9
[M+CH3COO]-	296.161571	207.3
[M+Na-2H]-	258.122386	158.8
[M]+	237.14717142	159.0
[M]-	237.14826858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.