CID 72207160

7-iodo-5h-pyrrolo[3,2-d]pyrimidine

Structural Information

Molecular Formula
C6H4IN3
SMILES
C1=C(C2=NC=NC=C2N1)I
InChI
InChI=1S/C6H4IN3/c7-4-1-9-5-2-8-3-10-6(4)5/h1-3,9H
InChIKey
FJWRQLQWXDGCID-UHFFFAOYSA-N
Compound name
7-iodo-5H-pyrrolo[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.94499 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.95227 124.4
[M+Na]+ 267.93421 128.9
[M-H]- 243.93771 117.6
[M+NH4]+ 262.97881 139.7
[M+K]+ 283.90815 131.2
[M+H-H2O]+ 227.94225 114.0
[M+HCOO]- 289.94319 141.7
[M+CH3COO]- 303.95884 134.6
[M+Na-2H]- 265.91966 122.8
[M]+ 244.94444 122.1
[M]- 244.94554 122.1
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

No patent data available for this compound.