CID 478283

Bdbm2881

Structural Information

Molecular Formula
C14H9ClF4N2O
SMILES
C1CC1C#CC2(C3=C(C=CC(=C3Cl)F)NC(=O)N2)C(F)(F)F
InChI
InChI=1S/C14H9ClF4N2O/c15-11-8(16)3-4-9-10(11)13(14(17,18)19,21-12(22)20-9)6-5-7-1-2-7/h3-4,7H,1-2H2,(H2,20,21,22)
InChIKey
GJUHJRCQQMCUNP-UHFFFAOYSA-N
Compound name
5-chloro-4-(2-cyclopropylethynyl)-6-fluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.03397 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.04125 159.8
[M+Na]+ 355.02319 177.3
[M-H]- 331.02669 157.8
[M+NH4]+ 350.06779 169.5
[M+K]+ 370.99713 164.0
[M+H-H2O]+ 315.03123 147.7
[M+HCOO]- 377.03217 162.8
[M+CH3COO]- 391.04782 168.5
[M+Na-2H]- 353.00864 163.4
[M]+ 332.03342 151.7
[M]- 332.03452 151.7
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.