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

455
Patents

320.31915 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.32643 188.7
[M+Na]+ 343.30837 191.4
[M-H]- 319.31187 185.8
[M+NH4]+ 338.35297 201.8
[M+K]+ 359.28231 185.6
[M+H-H2O]+ 303.31641 179.4
[M+HCOO]- 365.31735 205.8
[M+CH3COO]- 379.33300 211.3
[M+Na-2H]- 341.29382 186.8
[M]+ 320.31860 193.2
[M]- 320.31970 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