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

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

patents stripe