CID 71299223

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

Structural Information

Molecular Formula
C8H8BrN3O
SMILES
CN1C=C(C2=C1N=CN=C2OC)Br
InChI
InChI=1S/C8H8BrN3O/c1-12-3-5(9)6-7(12)10-4-11-8(6)13-2/h3-4H,1-2H3
InChIKey
IKFLTSHIUZFYDM-UHFFFAOYSA-N
Compound name
5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.98508 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.99236 146.6
[M+Na]+ 263.97430 151.5
[M+NH4]+ 259.01890 151.0
[M+K]+ 279.94824 152.7
[M-H]- 239.97780 145.9
[M+Na-2H]- 261.95975 149.6
[M]+ 240.98453 145.9
[M]- 240.98563 145.9
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.