CID 99415

4849-33-6

Structural Information

Molecular Formula
C13H17N3O3
SMILES
CN(C)C(=O)NC1=CC(=CC=C1)OC(=O)NCC=C
InChI
InChI=1S/C13H17N3O3/c1-4-8-14-13(18)19-11-7-5-6-10(9-11)15-12(17)16(2)3/h4-7,9H,1,8H2,2-3H3,(H,14,18)(H,15,17)
InChIKey
YUWLVEREVILSIW-UHFFFAOYSA-N
Compound name
[3-(dimethylcarbamoylamino)phenyl] N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.12698 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 161.9
[M+Na]+ 286.11620 169.7
[M+NH4]+ 281.16080 167.3
[M+K]+ 302.09014 165.6
[M-H]- 262.11970 163.4
[M+Na-2H]- 284.10165 166.1
[M]+ 263.12643 162.8
[M]- 263.12753 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.