CID 10775484

2-amino-7-bromoquinazoline

Structural Information

Molecular Formula
C8H6BrN3
SMILES
C1=CC2=CN=C(N=C2C=C1Br)N
InChI
InChI=1S/C8H6BrN3/c9-6-2-1-5-4-11-8(10)12-7(5)3-6/h1-4H,(H2,10,11,12)
InChIKey
CFUQBLOSOCYEIG-UHFFFAOYSA-N
Compound name
7-bromoquinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

222.9745 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.981776 136.2
[M+Na]+ 245.963718 149.4
[M-H]- 221.967224 140.9
[M+NH4]+ 241.008323 156.4
[M+K]+ 261.937658 137.5
[M+H-H2O]+ 205.971760 135.3
[M+HCOO]- 267.972701 156.5
[M+CH3COO]- 281.988351 151.4
[M+Na-2H]- 243.949166 147.2
[M]+ 222.97395142 153.5
[M]- 222.97504858 153.5
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