CID 19737075

2-heptadecyl-5-methyl-1h-imidazole

Structural Information

Molecular Formula
C21H40N2
SMILES
CCCCCCCCCCCCCCCCCC1=NC=C(N1)C
InChI
InChI=1S/C21H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20(2)23-21/h19H,3-18H2,1-2H3,(H,22,23)
InChIKey
RFWOZDRUDBNGSY-UHFFFAOYSA-N
Compound name
2-heptadecyl-5-methyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

399
Patents

320.31915 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.326426 188.7
[M+Na]+ 343.308368 191.4
[M-H]- 319.311874 185.8
[M+NH4]+ 338.352973 201.8
[M+K]+ 359.282308 185.6
[M+H-H2O]+ 303.316410 179.4
[M+HCOO]- 365.317351 205.8
[M+CH3COO]- 379.333001 211.3
[M+Na-2H]- 341.293816 186.8
[M]+ 320.31860142 193.2
[M]- 320.31969858 193.2
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