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

7
Patents

260.95114 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.95842 130.7
[M+Na]+ 283.94036 135.7
[M-H]- 259.94386 122.9
[M+NH4]+ 278.98496 143.8
[M+K]+ 299.91430 137.5
[M+H-H2O]+ 243.94840 119.7
[M+HCOO]- 305.94934 147.4
[M+CH3COO]- 319.96499 140.0
[M+Na-2H]- 281.92581 128.3
[M]+ 260.95059 127.4
[M]- 260.95169 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