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]+ 264.134256 161.3
[M+Na]+ 286.116198 165.8
[M-H]- 262.119704 166.1
[M+NH4]+ 281.160803 177.5
[M+K]+ 302.090138 165.3
[M+H-H2O]+ 246.124240 153.4
[M+HCOO]- 308.125181 187.3
[M+CH3COO]- 322.140831 205.7
[M+Na-2H]- 284.101646 164.3
[M]+ 263.12643142 162.5
[M]- 263.12752858 162.5
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.