CID 136025241

4h,5h-[1,2,4]triazolo[1,5-a]quinazolin-5-one

Structural Information

Molecular Formula
C9H6N4O
SMILES
C1=CC=C2C(=C1)C(=O)NC3=NC=NN23
InChI
InChI=1S/C9H6N4O/c14-8-6-3-1-2-4-7(6)13-9(12-8)10-5-11-13/h1-5H,(H,10,11,12,14)
InChIKey
PGJUGOCQNDOJAF-UHFFFAOYSA-N
Compound name
4H-[1,2,4]triazolo[1,5-a]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

186.05415 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06143 136.1
[M+Na]+ 209.04337 149.2
[M-H]- 185.04687 136.2
[M+NH4]+ 204.08797 154.0
[M+K]+ 225.01731 143.9
[M+H-H2O]+ 169.05141 127.9
[M+HCOO]- 231.05235 156.1
[M+CH3COO]- 245.06800 149.5
[M+Na-2H]- 207.02882 146.6
[M]+ 186.05360 137.6
[M]- 186.05470 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

patents stripe