CID 135446413

6-hydroxy-7-methoxy-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C9H8N2O3
SMILES
COC1=C(C=C2C(=C1)N=CNC2=O)O
InChI
InChI=1S/C9H8N2O3/c1-14-8-3-6-5(2-7(8)12)9(13)11-4-10-6/h2-4,12H,1H3,(H,10,11,13)
InChIKey
OKZIRNNFVQCDSA-UHFFFAOYSA-N
Compound name
6-hydroxy-7-methoxy-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

349
Patents

192.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 137.2
[M+Na]+ 215.04272 148.2
[M-H]- 191.04622 137.4
[M+NH4]+ 210.08732 154.3
[M+K]+ 231.01666 144.3
[M+H-H2O]+ 175.05076 130.4
[M+HCOO]- 237.05170 156.8
[M+CH3COO]- 251.06735 178.1
[M+Na-2H]- 213.02817 145.6
[M]+ 192.05295 138.0
[M]- 192.05405 138.0
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