CID 50987841

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

Structural Information

Molecular Formula
C7H9N5O
SMILES
CCC1=CC(=O)N2C(=N1)N=C(N2)N
InChI
InChI=1S/C7H9N5O/c1-2-4-3-5(13)12-7(9-4)10-6(8)11-12/h3H,2H2,1H3,(H3,8,9,10,11)
InChIKey
TTZGWBGIWYZODB-UHFFFAOYSA-N
Compound name
2-amino-5-ethyl-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

179.0807 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08798 135.2
[M+Na]+ 202.06992 148.0
[M+NH4]+ 197.11452 141.5
[M+K]+ 218.04386 145.1
[M-H]- 178.07342 134.6
[M+Na-2H]- 200.05537 140.4
[M]+ 179.08015 136.6
[M]- 179.08125 136.6
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

patents stripe