CID 135703883

4-hydroxyquinazoline-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

37
Patents

171.04326 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.050536 135.0
[M+Na]+ 194.032478 147.1
[M-H]- 170.035984 135.1
[M+NH4]+ 189.077083 151.1
[M+K]+ 210.006418 141.5
[M+H-H2O]+ 154.040520 121.3
[M+HCOO]- 216.041461 152.0
[M+CH3COO]- 230.057111 146.5
[M+Na-2H]- 192.017926 143.5
[M]+ 171.04271142 129.0
[M]- 171.04380858 129.0
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