CID 24963938

952518-97-7

Structural Information

Molecular Formula
C9H7N5
SMILES
C1=CNC2=NC=NC(=C21)C3=CNN=C3
InChI
InChI=1S/C9H7N5/c1-2-10-9-7(1)8(11-5-12-9)6-3-13-14-4-6/h1-5H,(H,13,14)(H,10,11,12)
InChIKey
FKZDJXVOWLWXHB-UHFFFAOYSA-N
Compound name
4-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

185.07014 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07742 136.6
[M+Na]+ 208.05936 150.5
[M+NH4]+ 203.10396 143.8
[M+K]+ 224.03330 148.2
[M-H]- 184.06286 137.1
[M+Na-2H]- 206.04481 144.5
[M]+ 185.06959 138.5
[M]- 185.07069 138.5
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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