CID 93139

30614-22-3

Structural Information

Molecular Formula

C₁₀H₁₆N₄O₂

SMILES

CC1=C(N=C(N=C1OC(=O)N(C)C)NC)C

InChI

InChI=1S/C10H16N4O2/c1-6-7(2)12-9(11-3)13-8(6)16-10(15)14(4)5/h1-5H3,(H,11,12,13)

InChIKey

GTKRZJVAXAQBMB-UHFFFAOYSA-N

Compound name

[5,6-dimethyl-2-(methylamino)pyrimidin-4-yl] N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 15
Patents: 224.12732 Da
Monoisotopic Mass: 1.6
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]+	225.134596	151.0
[M+Na]+	247.116538	159.4
[M-H]-	223.120044	154.2
[M+NH4]+	242.161143	167.4
[M+K]+	263.090478	159.2
[M+H-H2O]+	207.124580	143.0
[M+HCOO]-	269.125521	174.9
[M+CH3COO]-	283.141171	199.3
[M+Na-2H]-	245.101986	155.4
[M]+	224.12677142	154.6
[M]-	224.12786858	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe