CID 13548040

1h-imidazole, 4,4'-methylenebis(5-methyl-2-undecyl-

Structural Information

Molecular Formula
C31H56N4
SMILES
CCCCCCCCCCCC1=NC(=C(N1)C)CC2=C(NC(=N2)CCCCCCCCCCC)C
InChI
InChI=1S/C31H56N4/c1-5-7-9-11-13-15-17-19-21-23-30-32-26(3)28(34-30)25-29-27(4)33-31(35-29)24-22-20-18-16-14-12-10-8-6-2/h5-25H2,1-4H3,(H,32,34)(H,33,35)
InChIKey
SQZLLYMZDZQMRH-UHFFFAOYSA-N
Compound name
5-methyl-4-[(5-methyl-2-undecyl-1H-imidazol-4-yl)methyl]-2-undecyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

688
Patents

484.4505 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.45778 231.7
[M+Na]+ 507.43972 234.2
[M-H]- 483.44322 228.7
[M+NH4]+ 502.48432 237.0
[M+K]+ 523.41366 224.7
[M+H-H2O]+ 467.44776 219.9
[M+HCOO]- 529.44870 244.9
[M+CH3COO]- 543.46435 241.6
[M+Na-2H]- 505.42517 222.8
[M]+ 484.44995 239.5
[M]- 484.45105 239.5
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