CID 644599

Brn 5453820

Structural Information

Molecular Formula
C13H18N6O3
SMILES
C1COCCN1C2=NC(=NC(=N2)OCC#N)N3CCOCC3
InChI
InChI=1S/C13H18N6O3/c14-1-6-22-13-16-11(18-2-7-20-8-3-18)15-12(17-13)19-4-9-21-10-5-19/h2-10H2
InChIKey
ZDWKNJMIIQMADI-UHFFFAOYSA-N
Compound name
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

306.14404 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15132 178.5
[M+Na]+ 329.13326 189.8
[M+NH4]+ 324.17786 180.1
[M+K]+ 345.10720 181.6
[M-H]- 305.13676 175.1
[M+Na-2H]- 327.11871 180.2
[M]+ 306.14349 178.1
[M]- 306.14459 178.1
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

No patent data available for this compound.