CID 8027238

2-amino-5-(chloromethyl)-3h,7h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Structural Information

Molecular Formula
C6H6ClN5O
SMILES
C1=C(N=C2N=C(NN2C1=O)N)CCl
InChI
InChI=1S/C6H6ClN5O/c7-2-3-1-4(13)12-6(9-3)10-5(8)11-12/h1H,2H2,(H3,8,9,10,11)
InChIKey
JYCINVQOGMZLJM-UHFFFAOYSA-N
Compound name
2-amino-5-(chloromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.0261 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03338 137.4
[M+Na]+ 222.01532 151.0
[M-H]- 198.01882 136.2
[M+NH4]+ 217.05992 154.4
[M+K]+ 237.98926 145.3
[M+H-H2O]+ 182.02336 130.0
[M+HCOO]- 244.02430 154.2
[M+CH3COO]- 258.03995 150.5
[M+Na-2H]- 220.00077 144.8
[M]+ 199.02555 139.4
[M]- 199.02665 139.4
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