CID 72207113

8-bromoquinazolin-2-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

222.9745 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.98178 136.2
[M+Na]+ 245.96372 149.4
[M-H]- 221.96722 140.9
[M+NH4]+ 241.00832 156.4
[M+K]+ 261.93766 137.5
[M+H-H2O]+ 205.97176 135.3
[M+HCOO]- 267.97270 156.5
[M+CH3COO]- 281.98835 151.4
[M+Na-2H]- 243.94917 147.2
[M]+ 222.97395 153.5
[M]- 222.97505 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