CID 63841

Brn 0832165

Structural Information

Molecular Formula
C16H13BrFN3O
SMILES
CC1=C(C=CC(=C1)Br)N2C(=NC3=C(C2=O)C=C(C=C3)N)CF
InChI
InChI=1S/C16H13BrFN3O/c1-9-6-10(17)2-5-14(9)21-15(8-18)20-13-4-3-11(19)7-12(13)16(21)22/h2-7H,8,19H2,1H3
InChIKey
LYXUZARDNRECSZ-UHFFFAOYSA-N
Compound name
6-amino-3-(4-bromo-2-methylphenyl)-2-(fluoromethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

361.0226 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.02988 176.0
[M+Na]+ 384.01182 182.0
[M+NH4]+ 379.05642 179.7
[M+K]+ 399.98576 180.0
[M-H]- 360.01532 177.7
[M+Na-2H]- 381.99727 179.9
[M]+ 361.02205 176.2
[M]- 361.02315 176.2
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

patents stripe