CID 3062059

Brn 5157222

Structural Information

Molecular Formula
C12H18N6O6
SMILES
CNC(=O)OCC1=NC(=NC(=N1)COC(=O)NC)COC(=O)NC
InChI
InChI=1S/C12H18N6O6/c1-13-10(19)22-4-7-16-8(5-23-11(20)14-2)18-9(17-7)6-24-12(21)15-3/h4-6H2,1-3H3,(H,13,19)(H,14,20)(H,15,21)
InChIKey
VHBRRLUALJSGED-UHFFFAOYSA-N
Compound name
[4,6-bis(methylcarbamoyloxymethyl)-1,3,5-triazin-2-yl]methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.12878 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13606 175.4
[M+Na]+ 365.11800 181.0
[M+NH4]+ 360.16260 176.2
[M+K]+ 381.09194 180.5
[M-H]- 341.12150 172.4
[M+Na-2H]- 363.10345 176.5
[M]+ 342.12823 174.3
[M]- 342.12933 174.3
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.