CID 50989702

7-bromopyrido[3,2-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C7H5BrN4
SMILES
C1=C(C=NC2=C1N=CN=C2N)Br
InChI
InChI=1S/C7H5BrN4/c8-4-1-5-6(10-2-4)7(9)12-3-11-5/h1-3H,(H2,9,11,12)
InChIKey
DHGMEPSZSWBNLX-UHFFFAOYSA-N
Compound name
7-bromopyrido[3,2-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.96976 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.97704 135.2
[M+Na]+ 246.95898 148.7
[M-H]- 222.96248 138.6
[M+NH4]+ 242.00358 154.0
[M+K]+ 262.93292 136.8
[M+H-H2O]+ 206.96702 133.8
[M+HCOO]- 268.96796 154.5
[M+CH3COO]- 282.98361 150.0
[M+Na-2H]- 244.94443 146.8
[M]+ 223.96921 152.6
[M]- 223.97031 152.6
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.