CID 136773893

4h,5h,6h,7h,8h,9h-[1,2,4]triazolo[1,5-a]quinazolin-5-one

Structural Information

Molecular Formula
C9H10N4O
SMILES
C1CCC2=C(C1)C(=O)NC3=NC=NN23
InChI
InChI=1S/C9H10N4O/c14-8-6-3-1-2-4-7(6)13-9(12-8)10-5-11-13/h5H,1-4H2,(H,10,11,12,14)
InChIKey
YZBCLTQITQIFJW-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-4H-[1,2,4]triazolo[1,5-a]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08546 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 139.0
[M+Na]+ 213.07468 150.0
[M-H]- 189.07818 138.2
[M+NH4]+ 208.11928 156.5
[M+K]+ 229.04862 145.1
[M+H-H2O]+ 173.08272 130.5
[M+HCOO]- 235.08366 156.1
[M+CH3COO]- 249.09931 151.2
[M+Na-2H]- 211.06013 147.3
[M]+ 190.08491 137.6
[M]- 190.08601 137.6
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.