CID 75525831

8-bromo-2-chloro-5-methoxyquinazolin-4-amine

Structural Information

Molecular Formula
C9H7BrClN3O
SMILES
COC1=C2C(=C(C=C1)Br)N=C(N=C2N)Cl
InChI
InChI=1S/C9H7BrClN3O/c1-15-5-3-2-4(10)7-6(5)8(12)14-9(11)13-7/h2-3H,1H3,(H2,12,13,14)
InChIKey
XFFADVIFMFSYBX-UHFFFAOYSA-N
Compound name
8-bromo-2-chloro-5-methoxyquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

286.9461 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.95338 148.4
[M+Na]+ 309.93532 163.5
[M-H]- 285.93882 153.3
[M+NH4]+ 304.97992 167.5
[M+K]+ 325.90926 150.2
[M+H-H2O]+ 269.94336 147.9
[M+HCOO]- 331.94430 164.0
[M+CH3COO]- 345.95995 163.2
[M+Na-2H]- 307.92077 157.0
[M]+ 286.94555 169.8
[M]- 286.94665 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