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

0
Patents

246.13683 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 158.2
[M+Na]+ 269.12605 163.5
[M-H]- 245.12955 162.7
[M+NH4]+ 264.17065 175.5
[M+K]+ 285.09999 161.4
[M+H-H2O]+ 229.13409 150.7
[M+HCOO]- 291.13503 183.7
[M+CH3COO]- 305.15068 201.8
[M+Na-2H]- 267.11150 161.6
[M]+ 246.13628 160.0
[M]- 246.13738 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.