CID 11265642

1-cyclopropyl-6,7-difluoro-8-methoxy-1h-quinazoline-2,4-dione

Structural Information

Molecular Formula
C12H10F2N2O3
SMILES
COC1=C2C(=CC(=C1F)F)C(=O)NC(=O)N2C3CC3
InChI
InChI=1S/C12H10F2N2O3/c1-19-10-8(14)7(13)4-6-9(10)16(5-2-3-5)12(18)15-11(6)17/h4-5H,2-3H2,1H3,(H,15,17,18)
InChIKey
BCZJHULRTYMTDK-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6,7-difluoro-8-methoxyquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

268.06595 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07323 159.3
[M+Na]+ 291.05517 173.8
[M-H]- 267.05867 162.3
[M+NH4]+ 286.09977 169.6
[M+K]+ 307.02911 166.6
[M+H-H2O]+ 251.06321 149.7
[M+HCOO]- 313.06415 177.4
[M+CH3COO]- 327.07980 199.2
[M+Na-2H]- 289.04062 162.7
[M]+ 268.06540 162.1
[M]- 268.06650 162.1
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