CID 58575

Bemarinone

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CC1=C2C(=NC(=O)N1)C=CC(=C2OC)OC
InChI
InChI=1S/C11H12N2O3/c1-6-9-7(13-11(14)12-6)4-5-8(15-2)10(9)16-3/h4-5H,1-3H3,(H,12,13,14)
InChIKey
WVNXGAOAWSQPAL-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-4-methyl-3H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

137
Patents

220.0848 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.092076 145.9
[M+Na]+ 243.074018 157.3
[M-H]- 219.077524 147.4
[M+NH4]+ 238.118623 162.8
[M+K]+ 259.047958 153.9
[M+H-H2O]+ 203.082060 138.6
[M+HCOO]- 265.083001 166.2
[M+CH3COO]- 279.098651 187.8
[M+Na-2H]- 241.059466 152.9
[M]+ 220.08425142 149.6
[M]- 220.08534858 149.6
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

No patent data available for this compound.