CID 116269

4-methyl-2-pentadecyl-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C19H36N2
SMILES
CCCCCCCCCCCCCCCC1=NC=C(N1)C
InChI
InChI=1S/C19H36N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20-17-18(2)21-19/h17H,3-16H2,1-2H3,(H,20,21)
InChIKey
DSBVJJNBNAAFBD-UHFFFAOYSA-N
Compound name
5-methyl-2-pentadecyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.28784 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.29512 180.0
[M+Na]+ 315.27706 183.5
[M-H]- 291.28056 177.5
[M+NH4]+ 310.32166 194.2
[M+K]+ 331.25100 178.3
[M+H-H2O]+ 275.28510 171.1
[M+HCOO]- 337.28604 197.7
[M+CH3COO]- 351.30169 205.3
[M+Na-2H]- 313.26251 179.1
[M]+ 292.28729 183.7
[M]- 292.28839 183.7
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

patents stripe