CID 18996564

5-butyl-4h,7h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Structural Information

Molecular Formula
C9H12N4O
SMILES
CCCCC1=CC(=O)N2C(=N1)N=CN2
InChI
InChI=1S/C9H12N4O/c1-2-3-4-7-5-8(14)13-9(12-7)10-6-11-13/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKey
AWSBUPZHHVAQGZ-UHFFFAOYSA-N
Compound name
5-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

192.1011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10838 140.9
[M+Na]+ 215.09032 152.5
[M-H]- 191.09382 139.5
[M+NH4]+ 210.13492 157.7
[M+K]+ 231.06426 148.1
[M+H-H2O]+ 175.09836 132.6
[M+HCOO]- 237.09930 161.0
[M+CH3COO]- 251.11495 153.6
[M+Na-2H]- 213.07577 148.3
[M]+ 192.10055 143.4
[M]- 192.10165 143.4
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