CID 71744027

8-bromo-2-methylquinazolin-4-amine

Structural Information

Molecular Formula
C9H8BrN3
SMILES
CC1=NC2=C(C=CC=C2Br)C(=N1)N
InChI
InChI=1S/C9H8BrN3/c1-5-12-8-6(9(11)13-5)3-2-4-7(8)10/h2-4H,1H3,(H2,11,12,13)
InChIKey
BQGYLPYMEUWYIQ-UHFFFAOYSA-N
Compound name
8-bromo-2-methylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.99016 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.99744 141.2
[M+Na]+ 259.97938 154.7
[M-H]- 235.98288 146.0
[M+NH4]+ 255.02398 161.1
[M+K]+ 275.95332 142.6
[M+H-H2O]+ 219.98742 140.1
[M+HCOO]- 281.98836 161.0
[M+CH3COO]- 296.00401 156.2
[M+Na-2H]- 257.96483 150.8
[M]+ 236.98961 159.1
[M]- 236.99071 159.1
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

No patent data available for this compound.