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

2
Patents

236.99016 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.997436 141.2
[M+Na]+ 259.979378 154.7
[M-H]- 235.982884 146.0
[M+NH4]+ 255.023983 161.1
[M+K]+ 275.953318 142.6
[M+H-H2O]+ 219.987420 140.1
[M+HCOO]- 281.988361 161.0
[M+CH3COO]- 296.004011 156.2
[M+Na-2H]- 257.964826 150.8
[M]+ 236.98961142 159.1
[M]- 236.99070858 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

patents stripe