CID 478285

Bdbm2878

Structural Information

Molecular Formula
C14H10F4N2O
SMILES
C1CC1C#CC2(C3=C(C=CC(=C3)F)NC(=O)N2)C(F)(F)F
InChI
InChI=1S/C14H10F4N2O/c15-9-3-4-11-10(7-9)13(14(16,17)18,20-12(21)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H2,19,20,21)
InChIKey
LFWUWYZYISTASL-UHFFFAOYSA-N
Compound name
4-(2-cyclopropylethynyl)-6-fluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
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

patents stripe