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 203.8
[M+Na]+ 315.15398 211.4
[M-H]- 291.15748 210.1
[M+NH4]+ 310.19858 201.6
[M+K]+ 331.12792 209.8
[M+H-H2O]+ 275.16202 193.4
[M+HCOO]- 337.16296 215.0
[M+CH3COO]- 351.17861 209.1
[M+Na-2H]- 313.13943 204.3
[M]+ 292.16421 206.0
[M]- 292.16531 206.0
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