CID 12662864

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

Structural Information

Molecular Formula
C7H8N4
SMILES
CNC1=NC=NC2=C1C=CN2
InChI
InChI=1S/C7H8N4/c1-8-6-5-2-3-9-7(5)11-4-10-6/h2-4H,1H3,(H2,8,9,10,11)
InChIKey
AXWBJJJQRJBTMI-UHFFFAOYSA-N
Compound name
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

119
Patents

148.07489 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08217 127.1
[M+Na]+ 171.06411 140.2
[M+NH4]+ 166.10871 135.3
[M+K]+ 187.03805 135.9
[M-H]- 147.06761 128.1
[M+Na-2H]- 169.04956 134.4
[M]+ 148.07434 129.1
[M]- 148.07544 129.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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