CID 478289

Bdbm2887

Structural Information

Molecular Formula
C15H15F3N2O2
SMILES
CC(C)C#CC1(C2=C(C=CC(=C2)OC)NC(=O)N1)C(F)(F)F
InChI
InChI=1S/C15H15F3N2O2/c1-9(2)6-7-14(15(16,17)18)11-8-10(22-3)4-5-12(11)19-13(21)20-14/h4-5,8-9H,1-3H3,(H2,19,20,21)
InChIKey
ZUGUAECNXNOEAJ-UHFFFAOYSA-N
Compound name
6-methoxy-4-(3-methylbut-1-ynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.10855 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11583 169.1
[M+Na]+ 335.09777 179.0
[M-H]- 311.10127 162.9
[M+NH4]+ 330.14237 181.1
[M+K]+ 351.07171 171.5
[M+H-H2O]+ 295.10581 154.4
[M+HCOO]- 357.10675 173.4
[M+CH3COO]- 371.12240 206.1
[M+Na-2H]- 333.08322 170.4
[M]+ 312.10800 157.5
[M]- 312.10910 157.5
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.