CID 1476963

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

Structural Information

Molecular Formula
C9H8N4O
SMILES
C1CC2=C(C=NC3=NC=NN23)C(=O)C1
InChI
InChI=1S/C9H8N4O/c14-8-3-1-2-7-6(8)4-10-9-11-5-12-13(7)9/h4-5H,1-3H2
InChIKey
QMCFBAYSPJNHHZ-UHFFFAOYSA-N
Compound name
8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

188.06981 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07709 138.2
[M+Na]+ 211.05903 149.5
[M-H]- 187.06253 138.7
[M+NH4]+ 206.10363 156.4
[M+K]+ 227.03297 145.5
[M+H-H2O]+ 171.06707 129.4
[M+HCOO]- 233.06801 156.8
[M+CH3COO]- 247.08366 151.1
[M+Na-2H]- 209.04448 146.9
[M]+ 188.06926 138.5
[M]- 188.07036 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.