CID 728935

6-bromoquinazolin-4-amine

Structural Information

Molecular Formula
C8H6BrN3
SMILES
C1=CC2=C(C=C1Br)C(=NC=N2)N
InChI
InChI=1S/C8H6BrN3/c9-5-1-2-7-6(3-5)8(10)12-4-11-7/h1-4H,(H2,10,11,12)
InChIKey
FHCKWLXHKAPOBN-UHFFFAOYSA-N
Compound name
6-bromoquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

146
Patents

222.9745 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.98178 137.7
[M+Na]+ 245.96372 142.7
[M+NH4]+ 241.00832 143.2
[M+K]+ 261.93766 142.0
[M-H]- 221.96722 139.0
[M+Na-2H]- 243.94917 142.5
[M]+ 222.97395 137.6
[M]- 222.97505 137.6
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