CID 13785877

8-bromo-2-chloroquinazolin-4-amine

Structural Information

Molecular Formula
C8H5BrClN3
SMILES
C1=CC2=C(C(=C1)Br)N=C(N=C2N)Cl
InChI
InChI=1S/C8H5BrClN3/c9-5-3-1-2-4-6(5)12-8(10)13-7(4)11/h1-3H,(H2,11,12,13)
InChIKey
FRWKIQGVGJPSFF-UHFFFAOYSA-N
Compound name
8-bromo-2-chloroquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

256.93555 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.942826 141.2
[M+Na]+ 279.924768 156.1
[M-H]- 255.928274 145.9
[M+NH4]+ 274.969373 161.2
[M+K]+ 295.898708 142.4
[M+H-H2O]+ 239.932810 140.9
[M+HCOO]- 301.933751 156.9
[M+CH3COO]- 315.949401 156.3
[M+Na-2H]- 277.910216 151.0
[M]+ 256.93500142 160.6
[M]- 256.93609858 160.6
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