CID 99416

4849-30-3

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₃

SMILES

CC(C)NC(=O)OC1=CC=CC(=C1)NC(=O)N(C)C

InChI

InChI=1S/C13H19N3O3/c1-9(2)14-13(18)19-11-7-5-6-10(8-11)15-12(17)16(3)4/h5-9H,1-4H3,(H,14,18)(H,15,17)

InChIKey

VNCXFXQEWWHCTH-UHFFFAOYSA-N

Compound name

[3-(dimethylcarbamoylamino)phenyl] N-propan-2-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 265.14264 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.149916	163.0
[M+Na]+	288.131858	167.1
[M-H]-	264.135364	167.9
[M+NH4]+	283.176463	179.2
[M+K]+	304.105798	167.7
[M+H-H2O]+	248.139900	155.2
[M+HCOO]-	310.140841	187.9
[M+CH3COO]-	324.156491	207.5
[M+Na-2H]-	286.117306	164.8
[M]+	265.14209142	164.4
[M]-	265.14318858	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe