CID 66560938

5-bromo-7-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C7H7BrN4
SMILES
CN1C=C(C2=C(N=CN=C21)N)Br
InChI
InChI=1S/C7H7BrN4/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3,(H2,9,10,11)
InChIKey
SCHJLAFNBDGWJN-UHFFFAOYSA-N
Compound name
5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

225.98541 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.992686 136.9
[M+Na]+ 248.974628 152.4
[M-H]- 224.978134 141.3
[M+NH4]+ 244.019233 157.9
[M+K]+ 264.948568 140.7
[M+H-H2O]+ 208.982670 135.8
[M+HCOO]- 270.983611 158.4
[M+CH3COO]- 284.999261 152.8
[M+Na-2H]- 246.960076 145.9
[M]+ 225.98486142 156.7
[M]- 225.98595858 156.7
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