CID 3045483

Brn 0556908

Structural Information

Molecular Formula
C12H20N6O2
SMILES
CCC(CO)(CO)NC1=NC(=NC(=N1)N2CC2)N3CC3
InChI
InChI=1S/C12H20N6O2/c1-2-12(7-19,8-20)16-9-13-10(17-3-4-17)15-11(14-9)18-5-6-18/h19-20H,2-8H2,1H3,(H,13,14,15,16)
InChIKey
MPYAOCLWDZLYKF-UHFFFAOYSA-N
Compound name
2-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16476 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17204 196.6
[M+Na]+ 303.15398 204.0
[M-H]- 279.15748 197.6
[M+NH4]+ 298.19858 194.8
[M+K]+ 319.12792 196.8
[M+H-H2O]+ 263.16202 188.1
[M+HCOO]- 325.16296 209.6
[M+CH3COO]- 339.17861 208.1
[M+Na-2H]- 301.13943 197.9
[M]+ 280.16421 199.0
[M]- 280.16531 199.0
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

No patent data available for this compound.