CID 75412176

3-iodoimidazo[1,2-a]pyrimidine

Structural Information

Molecular Formula
C6H4IN3
SMILES
C1=CN2C(=CN=C2N=C1)I
InChI
InChI=1S/C6H4IN3/c7-5-4-9-6-8-2-1-3-10(5)6/h1-4H
InChIKey
HYNDIQDXMQWEFY-UHFFFAOYSA-N
Compound name
3-iodoimidazo[1,2-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

244.94499 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.95227 122.8
[M+Na]+ 267.93421 127.7
[M-H]- 243.93771 117.2
[M+NH4]+ 262.97881 138.8
[M+K]+ 283.90815 130.9
[M+H-H2O]+ 227.94225 112.1
[M+HCOO]- 289.94319 141.5
[M+CH3COO]- 303.95884 133.6
[M+Na-2H]- 265.91966 121.7
[M]+ 244.94444 122.2
[M]- 244.94554 122.2
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