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 167.4
[M+Na]+ 390.05632 171.2
[M-H]- 366.05982 165.5
[M+NH4]+ 385.10092 177.9
[M+K]+ 406.03026 167.1
[M+H-H2O]+ 350.06436 158.2
[M+HCOO]- 412.06530 182.9
[M+CH3COO]- 426.08095 204.1
[M+Na-2H]- 388.04177 160.6
[M]+ 367.06655 166.7
[M]- 367.06765 166.7
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.