CID 135471300

19181-54-5

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC1=C2C(=CC=C1)C(=O)NC=N2
InChI
InChI=1S/C9H8N2O/c1-6-3-2-4-7-8(6)10-5-11-9(7)12/h2-5H,1H3,(H,10,11,12)
InChIKey
GZRXSFZDLGKFLN-UHFFFAOYSA-N
Compound name
8-methyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

164
Patents

160.06366 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 130.8
[M+Na]+ 183.05288 146.2
[M+NH4]+ 178.09748 139.5
[M+K]+ 199.02682 139.1
[M-H]- 159.05638 132.6
[M+Na-2H]- 181.03833 138.6
[M]+ 160.06311 133.5
[M]- 160.06421 133.5
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

patents stripe