CID 202715

Brn 0805251

Structural Information

Molecular Formula
C9H11ClN4O
SMILES
COC1=NC(=C(C(=N1)N2CC2)Cl)N3CC3
InChI
InChI=1S/C9H11ClN4O/c1-15-9-11-7(13-2-3-13)6(10)8(12-9)14-4-5-14/h2-5H2,1H3
InChIKey
OKGRTVSIRKYNOP-UHFFFAOYSA-N
Compound name
4,6-bis(aziridin-1-yl)-5-chloro-2-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 176.5
[M+Na]+ 249.05135 186.7
[M-H]- 225.05485 180.5
[M+NH4]+ 244.09595 179.5
[M+K]+ 265.02529 181.2
[M+H-H2O]+ 209.05939 167.2
[M+HCOO]- 271.06033 189.8
[M+CH3COO]- 285.07598 184.3
[M+Na-2H]- 247.03680 177.6
[M]+ 226.06158 181.6
[M]- 226.06268 181.6
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.