CID 90068

2-heptadecylimidazole

Structural Information

Molecular Formula
C20H38N2
SMILES
CCCCCCCCCCCCCCCCCC1=NC=CN1
InChI
InChI=1S/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h18-19H,2-17H2,1H3,(H,21,22)
InChIKey
YTWBFUCJVWKCCK-UHFFFAOYSA-N
Compound name
2-heptadecyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

21930
Patents

306.3035 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.31078 184.6
[M+Na]+ 329.29272 193.2
[M+NH4]+ 324.33732 190.6
[M+K]+ 345.26666 185.5
[M-H]- 305.29622 184.3
[M+Na-2H]- 327.27817 186.9
[M]+ 306.30295 185.5
[M]- 306.30405 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe