CID 78198751

3,3'-methylenebis[1-(2,6-diisopropylphenyl)-3-imidazolium bromide]

Structural Information

Molecular Formula
C31H42N4
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2)C[N+]3=CN(C=C3)C4=C(C=CC=C4C(C)C)C(C)C
InChI
InChI=1S/C31H42N4/c1-22(2)26-11-9-12-27(23(3)4)30(26)34-17-15-32(20-34)19-33-16-18-35(21-33)31-28(24(5)6)13-10-14-29(31)25(7)8/h9-18,20-25H,19H2,1-8H3/q+2
InChIKey
AXMWOOXCRDRNDZ-UHFFFAOYSA-N
Compound name
1-[2,6-di(propan-2-yl)phenyl]-3-[[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]methyl]imidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

470.34094 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.34822 226.1
[M+Na]+ 493.33016 231.3
[M-H]- 469.33366 235.1
[M+NH4]+ 488.37476 231.7
[M+K]+ 509.30410 213.7
[M+H-H2O]+ 453.33820 219.2
[M+HCOO]- 515.33914 239.6
[M+CH3COO]- 529.35479 230.7
[M+Na-2H]- 491.31561 221.7
[M]+ 470.34039 227.9
[M]- 470.34149 227.9
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.