CID 86715538

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

Structural Information

Molecular Formula
C7H5BrN4
SMILES
C1=C(C=NC2=NC=NC(=C21)N)Br
InChI
InChI=1S/C7H5BrN4/c8-4-1-5-6(9)11-3-12-7(5)10-2-4/h1-3H,(H2,9,10,11,12)
InChIKey
RQXUDXAAXGXEEU-UHFFFAOYSA-N
Compound name
6-bromopyrido[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

223.96976 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.977036 135.2
[M+Na]+ 246.958978 148.7
[M-H]- 222.962484 138.6
[M+NH4]+ 242.003583 154.0
[M+K]+ 262.932918 136.8
[M+H-H2O]+ 206.967020 133.8
[M+HCOO]- 268.967961 154.5
[M+CH3COO]- 282.983611 150.0
[M+Na-2H]- 244.944426 146.8
[M]+ 223.96921142 152.6
[M]- 223.97030858 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

patents stripe