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

195
Patents

185.07014 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.077416 136.6
[M+Na]+ 208.059358 147.9
[M-H]- 184.062864 136.4
[M+NH4]+ 203.103963 152.8
[M+K]+ 224.033298 142.5
[M+H-H2O]+ 168.067400 127.5
[M+HCOO]- 230.068341 155.9
[M+CH3COO]- 244.083991 149.0
[M+Na-2H]- 206.044806 143.7
[M]+ 185.06959142 135.4
[M]- 185.07068858 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe