CID 48859

Brn 0560213

Structural Information

Molecular Formula
C13H20N6O2
SMILES
CC1(OCC(CO1)NC2=NC(=NC(=N2)N3CC3)N4CC4)C
InChI
InChI=1S/C13H20N6O2/c1-13(2)20-7-9(8-21-13)14-10-15-11(18-3-4-18)17-12(16-10)19-5-6-19/h9H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKey
VMMDEBKTKMPGCH-UHFFFAOYSA-N
Compound name
4,6-bis(aziridin-1-yl)-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.16476 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17204 154.2
[M+Na]+ 315.15398 168.1
[M+NH4]+ 310.19858 161.8
[M+K]+ 331.12792 165.7
[M-H]- 291.15748 171.6
[M+Na-2H]- 313.13943 166.2
[M]+ 292.16421 163.2
[M]- 292.16531 163.2
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

patents stripe