CID 99417

4849-31-4

Structural Information

Molecular Formula
C14H21N3O3
SMILES
CC(C)CNC(=O)OC1=CC=CC(=C1)NC(=O)N(C)C
InChI
InChI=1S/C14H21N3O3/c1-10(2)9-15-14(19)20-12-7-5-6-11(8-12)16-13(18)17(3)4/h5-8,10H,9H2,1-4H3,(H,15,19)(H,16,18)
InChIKey
BFXLQAXFPODEJD-UHFFFAOYSA-N
Compound name
[3-(dimethylcarbamoylamino)phenyl] N-(2-methylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

279.1583 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16558 167.2
[M+Na]+ 302.14752 174.5
[M+NH4]+ 297.19212 172.6
[M+K]+ 318.12146 171.0
[M-H]- 278.15102 168.7
[M+Na-2H]- 300.13297 170.9
[M]+ 279.15775 168.1
[M]- 279.15885 168.1
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

patents stripe