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

32
Patents

252.07103 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07831 155.6
[M+Na]+ 275.06025 170.3
[M-H]- 251.06375 158.7
[M+NH4]+ 270.10485 166.7
[M+K]+ 291.03419 162.7
[M+H-H2O]+ 235.06829 146.3
[M+HCOO]- 297.06923 173.7
[M+CH3COO]- 311.08488 197.1
[M+Na-2H]- 273.04570 159.1
[M]+ 252.07048 157.1
[M]- 252.07158 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