CID 23559530

7-bromo-4-chloro-2-methyl-5h-pyrrolo[3,2-d]pyrimidine

Structural Information

Molecular Formula
C7H5BrClN3
SMILES
CC1=NC2=C(C(=N1)Cl)NC=C2Br
InChI
InChI=1S/C7H5BrClN3/c1-3-11-5-4(8)2-10-6(5)7(9)12-3/h2,10H,1H3
InChIKey
BWUWBHPAFDXGMT-UHFFFAOYSA-N
Compound name
7-bromo-4-chloro-2-methyl-5H-pyrrolo[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

244.93555 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.94283 145.6
[M+Na]+ 267.92477 151.5
[M+NH4]+ 262.96937 150.6
[M+K]+ 283.89871 151.8
[M-H]- 243.92827 145.1
[M+Na-2H]- 265.91022 148.9
[M]+ 244.93500 145.4
[M]- 244.93610 145.4
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