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

26
Patents

268.06595 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.073226 159.3
[M+Na]+ 291.055168 173.8
[M-H]- 267.058674 162.3
[M+NH4]+ 286.099773 169.6
[M+K]+ 307.029108 166.6
[M+H-H2O]+ 251.063210 149.7
[M+HCOO]- 313.064151 177.4
[M+CH3COO]- 327.079801 199.2
[M+Na-2H]- 289.040616 162.7
[M]+ 268.06540142 162.1
[M]- 268.06649858 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