CID 11810154

4,6-diiodopyrimidin-5-amine

Structural Information

Molecular Formula
C4H3I2N3
SMILES
C1=NC(=C(C(=N1)I)N)I
InChI
InChI=1S/C4H3I2N3/c5-3-2(7)4(6)9-1-8-3/h1H,7H2
InChIKey
YKCUYWBKUSVPSM-UHFFFAOYSA-N
Compound name
4,6-diiodopyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

346.84164 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.84892 135.5
[M+Na]+ 369.83086 130.6
[M-H]- 345.83436 125.3
[M+NH4]+ 364.87546 143.8
[M+K]+ 385.80480 140.4
[M+H-H2O]+ 329.83890 123.3
[M+HCOO]- 391.83984 147.4
[M+CH3COO]- 405.85549 198.2
[M+Na-2H]- 367.81631 125.4
[M]+ 346.84109 129.6
[M]- 346.84219 129.6
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