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

14
Patents

224.12732 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13460 151.0
[M+Na]+ 247.11654 159.4
[M-H]- 223.12004 154.2
[M+NH4]+ 242.16114 167.4
[M+K]+ 263.09048 159.2
[M+H-H2O]+ 207.12458 143.0
[M+HCOO]- 269.12552 174.9
[M+CH3COO]- 283.14117 199.3
[M+Na-2H]- 245.10199 155.4
[M]+ 224.12677 154.6
[M]- 224.12787 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe