CID 478282

5-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one

Structural Information

Molecular Formula
C14H10ClF3N2O
SMILES
C1CC1C#CC2(C3=C(C=CC=C3Cl)NC(=O)N2)C(F)(F)F
InChI
InChI=1S/C14H10ClF3N2O/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
YAZZXHANFRCCNP-UHFFFAOYSA-N
Compound name
5-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.04337 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05065 160.5
[M+Na]+ 337.03259 177.3
[M-H]- 313.03609 159.4
[M+NH4]+ 332.07719 170.7
[M+K]+ 353.00653 164.3
[M+H-H2O]+ 297.04063 148.8
[M+HCOO]- 359.04157 164.3
[M+CH3COO]- 373.05722 169.3
[M+Na-2H]- 335.01804 164.9
[M]+ 314.04282 153.0
[M]- 314.04392 153.0
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

No patent data available for this compound.