CID 71307527

113119-46-3

Structural Information

Molecular Formula
C16H20IN2
SMILES
CC1=CC(=NC(=C1[I+]C2=C(N=C(C=C2C)C)C)C)C
InChI
InChI=1S/C16H20IN2/c1-9-7-11(3)18-13(5)15(9)17-16-10(2)8-12(4)19-14(16)6/h7-8H,1-6H3/q+1
InChIKey
UUXZOKDQWZOKBX-UHFFFAOYSA-N
Compound name
bis(2,4,6-trimethylpyridin-3-yl)iodanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0671 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.07438 171.2
[M+Na]+ 390.05632 182.0
[M+NH4]+ 385.10092 176.2
[M+K]+ 406.03026 177.2
[M-H]- 366.05982 170.9
[M+Na-2H]- 388.04177 167.7
[M]+ 367.06655 172.2
[M]- 367.06765 172.2
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

No patent data available for this compound.