CID 68516655

3-iodo-1h-pyrazolo[4,3-d]pyrimidin-7-amine

Structural Information

Molecular Formula
C5H4IN5
SMILES
C1=NC2=C(NN=C2C(=N1)N)I
InChI
InChI=1S/C5H4IN5/c6-4-2-3(10-11-4)5(7)9-1-8-2/h1H,(H,10,11)(H2,7,8,9)
InChIKey
YURNROUZWRPFAP-UHFFFAOYSA-N
Compound name
3-iodo-2H-pyrazolo[4,3-d]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

260.95114 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.958416 130.7
[M+Na]+ 283.940358 135.7
[M-H]- 259.943864 122.9
[M+NH4]+ 278.984963 143.8
[M+K]+ 299.914298 137.5
[M+H-H2O]+ 243.948400 119.7
[M+HCOO]- 305.949341 147.4
[M+CH3COO]- 319.964991 140.0
[M+Na-2H]- 281.925806 128.3
[M]+ 260.95059142 127.4
[M]- 260.95168858 127.4
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