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]+ 189.077086 138.2
[M+Na]+ 211.059028 149.5
[M-H]- 187.062534 138.7
[M+NH4]+ 206.103633 156.4
[M+K]+ 227.032968 145.5
[M+H-H2O]+ 171.067070 129.4
[M+HCOO]- 233.068011 156.8
[M+CH3COO]- 247.083661 151.1
[M+Na-2H]- 209.044476 146.9
[M]+ 188.06926142 138.5
[M]- 188.07035858 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.