CID 478280

Bdbm2873

Structural Information

Molecular Formula
C14H10F4N2O
SMILES
C1CC1C#CC2(C3=C(C=CC=C3F)NC(=O)N2)C(F)(F)F
InChI
InChI=1S/C14H10F4N2O/c15-9-2-1-3-10-11(9)13(14(16,17)18,20-12(21)19-10)7-6-8-4-5-8/h1-3,8H,4-5H2,(H2,19,20,21)
InChIKey
VPLLJIUFAJVSBV-UHFFFAOYSA-N
Compound name
4-(2-cyclopropylethynyl)-5-fluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.07294 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08022 159.6
[M+Na]+ 321.06216 175.7
[M-H]- 297.06566 157.4
[M+NH4]+ 316.10676 169.4
[M+K]+ 337.03610 163.7
[M+H-H2O]+ 281.07020 146.5
[M+HCOO]- 343.07114 166.3
[M+CH3COO]- 357.08679 204.3
[M+Na-2H]- 319.04761 163.6
[M]+ 298.07239 149.3
[M]- 298.07349 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.