CID 135703883

4-oxo-3,4-dihydroquinazoline-6-carbonitrile

Structural Information

Molecular Formula
C9H5N3O
SMILES
C1=CC2=C(C=C1C#N)C(=O)NC=N2
InChI
InChI=1S/C9H5N3O/c10-4-6-1-2-8-7(3-6)9(13)12-5-11-8/h1-3,5H,(H,11,12,13)
InChIKey
VXISBCZDQLPLJO-UHFFFAOYSA-N
Compound name
4-oxo-3H-quinazoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

171.04326 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05054 138.4
[M+Na]+ 194.03248 152.4
[M+NH4]+ 189.07708 143.1
[M+K]+ 210.00642 142.5
[M-H]- 170.03598 132.5
[M+Na-2H]- 192.01793 142.8
[M]+ 171.04271 137.9
[M]- 171.04381 137.9
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