CID 10798005

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

Structural Information

Molecular Formula
C6H4BrN3
SMILES
C1=C(C2=CN=CN=C2N1)Br
InChI
InChI=1S/C6H4BrN3/c7-5-2-9-6-4(5)1-8-3-10-6/h1-3H,(H,8,9,10)
InChIKey
CMXNUWNEWCACQH-UHFFFAOYSA-N
Compound name
5-bromo-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

196.95886 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.96614 135.2
[M+Na]+ 219.94808 139.8
[M+NH4]+ 214.99268 140.1
[M+K]+ 235.92202 140.9
[M-H]- 195.95158 134.5
[M+Na-2H]- 217.93353 139.1
[M]+ 196.95831 134.4
[M]- 196.95941 134.4
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