CID 75525909

8-bromo-2-chloro-6-methoxyquinazolin-4-amine

Structural Information

Molecular Formula
C9H7BrClN3O
SMILES
COC1=CC2=C(C(=C1)Br)N=C(N=C2N)Cl
InChI
InChI=1S/C9H7BrClN3O/c1-15-4-2-5-7(6(10)3-4)13-9(11)14-8(5)12/h2-3H,1H3,(H2,12,13,14)
InChIKey
JGLFPJOQXWQCFK-UHFFFAOYSA-N
Compound name
8-bromo-2-chloro-6-methoxyquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

286.9461 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.953376 148.4
[M+Na]+ 309.935318 163.5
[M-H]- 285.938824 153.3
[M+NH4]+ 304.979923 167.5
[M+K]+ 325.909258 150.2
[M+H-H2O]+ 269.943360 147.9
[M+HCOO]- 331.944301 164.0
[M+CH3COO]- 345.959951 163.2
[M+Na-2H]- 307.920766 157.0
[M]+ 286.94555142 169.8
[M]- 286.94664858 169.8
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

patents stripe