CID 709484

6-bromo-n-(4-fluorophenyl)quinazolin-4-amine

Structural Information

Molecular Formula
C14H9BrFN3
SMILES
C1=CC(=CC=C1NC2=NC=NC3=C2C=C(C=C3)Br)F
InChI
InChI=1S/C14H9BrFN3/c15-9-1-6-13-12(7-9)14(18-8-17-13)19-11-4-2-10(16)3-5-11/h1-8H,(H,17,18,19)
InChIKey
RRLMZETXQWPGIY-UHFFFAOYSA-N
Compound name
6-bromo-N-(4-fluorophenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.9964 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.00368 161.9
[M+Na]+ 339.98562 174.2
[M-H]- 315.98912 168.3
[M+NH4]+ 335.03022 178.2
[M+K]+ 355.95956 160.8
[M+H-H2O]+ 299.99366 158.5
[M+HCOO]- 361.99460 180.8
[M+CH3COO]- 376.01025 175.1
[M+Na-2H]- 337.97107 171.4
[M]+ 316.99585 178.8
[M]- 316.99695 178.8
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.