CID 21588

5448-27-1

Structural Information

Molecular Formula
C22H36N2
SMILES
CCCCCCCCCCCC1=NC(CN1C2=CC=CC=C2)(C)C
InChI
InChI=1S/C22H36N2/c1-4-5-6-7-8-9-10-11-15-18-21-23-22(2,3)19-24(21)20-16-13-12-14-17-20/h12-14,16-17H,4-11,15,18-19H2,1-3H3
InChIKey
XYMKQFAGAOZDEI-UHFFFAOYSA-N
Compound name
5,5-dimethyl-3-phenyl-2-undecyl-4H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.28784 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.29512 185.7
[M+Na]+ 351.27706 190.6
[M-H]- 327.28056 188.3
[M+NH4]+ 346.32166 201.1
[M+K]+ 367.25100 185.1
[M+H-H2O]+ 311.28510 176.2
[M+HCOO]- 373.28604 204.2
[M+CH3COO]- 387.30169 213.2
[M+Na-2H]- 349.26251 185.5
[M]+ 328.28729 189.0
[M]- 328.28839 189.0
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.