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 138.3
[M+Na]+ 267.92477 155.2
[M-H]- 243.92827 141.6
[M+NH4]+ 262.96937 159.4
[M+K]+ 283.89871 141.6
[M+H-H2O]+ 227.93281 138.5
[M+HCOO]- 289.93375 153.5
[M+CH3COO]- 303.94940 154.0
[M+Na-2H]- 265.91022 147.0
[M]+ 244.93500 159.6
[M]- 244.93610 159.6
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