CID 135398517

90417-38-2

Structural Information

Molecular Formula
C9H8N2O2
SMILES
CC1=NC2=C(C=CC=C2O)C(=O)N1
InChI
InChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13)
InChIKey
YJDAOHJWLUNFLX-UHFFFAOYSA-N
Compound name
8-hydroxy-2-methyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

547
Patents

176.05858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 134.3
[M+Na]+ 199.04780 145.4
[M-H]- 175.05130 134.5
[M+NH4]+ 194.09240 152.1
[M+K]+ 215.02174 141.0
[M+H-H2O]+ 159.05584 127.8
[M+HCOO]- 221.05678 153.7
[M+CH3COO]- 235.07243 175.9
[M+Na-2H]- 197.03325 142.7
[M]+ 176.05803 133.7
[M]- 176.05913 133.7
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