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

26
Patents

192.1011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.108376 140.9
[M+Na]+ 215.090318 152.5
[M-H]- 191.093824 139.5
[M+NH4]+ 210.134923 157.7
[M+K]+ 231.064258 148.1
[M+H-H2O]+ 175.098360 132.6
[M+HCOO]- 237.099301 161.0
[M+CH3COO]- 251.114951 153.6
[M+Na-2H]- 213.075766 148.3
[M]+ 192.10055142 143.4
[M]- 192.10164858 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