CID 202761

Brn 0799356

Structural Information

Molecular Formula
C9H11ClN4O
SMILES
COC1=NC(=NC(=C1Cl)N2CC2)N3CC3
InChI
InChI=1S/C9H11ClN4O/c1-15-8-6(10)7(13-2-3-13)11-9(12-8)14-4-5-14/h2-5H2,1H3
InChIKey
KWKNIEPBHYDTQJ-UHFFFAOYSA-N
Compound name
2,4-bis(aziridin-1-yl)-5-chloro-6-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.06213 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06941 132.5
[M+Na]+ 249.05135 147.7
[M+NH4]+ 244.09595 140.3
[M+K]+ 265.02529 145.6
[M-H]- 225.05485 146.4
[M+Na-2H]- 247.03680 145.0
[M]+ 226.06158 140.7
[M]- 226.06268 140.7
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.