CID 47219

4-diallylaminophenyl methylcarbamate

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₂

SMILES

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

InChI

InChI=1S/C14H18N2O2/c1-4-10-16(11-5-2)12-6-8-13(9-7-12)18-14(17)15-3/h4-9H,1-2,10-11H2,3H3,(H,15,17)

InChIKey

QKXMQCQXIQIDMZ-UHFFFAOYSA-N

Compound name

[4-[bis(prop-2-enyl)amino]phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 246.13683 Da
Monoisotopic Mass: 2.9
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]+	247.144106	158.2
[M+Na]+	269.126048	163.5
[M-H]-	245.129554	162.7
[M+NH4]+	264.170653	175.5
[M+K]+	285.099988	161.4
[M+H-H2O]+	229.134090	150.7
[M+HCOO]-	291.135031	183.7
[M+CH3COO]-	305.150681	201.8
[M+Na-2H]-	267.111496	161.6
[M]+	246.13628142	160.0
[M]-	246.13737858	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe