CID 11414072

1-cyclopropyl-6,7-difluoro-8-methyl-2,4(1h,3h)-quinazolinedione

Structural Information

Molecular Formula
C12H10F2N2O2
SMILES
CC1=C2C(=CC(=C1F)F)C(=O)NC(=O)N2C3CC3
InChI
InChI=1S/C12H10F2N2O2/c1-5-9(14)8(13)4-7-10(5)16(6-2-3-6)12(18)15-11(7)17/h4,6H,2-3H2,1H3,(H,15,17,18)
InChIKey
VHLOUICJKIEZJE-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6,7-difluoro-8-methylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

252.07103 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.078306 155.6
[M+Na]+ 275.060248 170.3
[M-H]- 251.063754 158.7
[M+NH4]+ 270.104853 166.7
[M+K]+ 291.034188 162.7
[M+H-H2O]+ 235.068290 146.3
[M+HCOO]- 297.069231 173.7
[M+CH3COO]- 311.084881 197.1
[M+Na-2H]- 273.045696 159.1
[M]+ 252.07048142 157.1
[M]- 252.07157858 157.1
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