CID 7744

2-heptadecyl-2-imidazoline

Structural Information

Molecular Formula
C20H40N2
SMILES
CCCCCCCCCCCCCCCCCC1=NCCN1
InChI
InChI=1S/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h2-19H2,1H3,(H,21,22)
InChIKey
NCVGSSQICKMAIA-UHFFFAOYSA-N
Compound name
2-heptadecyl-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

8614
Patents

308.31915 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.32643 186.0
[M+Na]+ 331.30837 187.1
[M-H]- 307.31187 182.5
[M+NH4]+ 326.35297 199.1
[M+K]+ 347.28231 181.9
[M+H-H2O]+ 291.31641 176.5
[M+HCOO]- 353.31735 201.9
[M+CH3COO]- 367.33300 207.6
[M+Na-2H]- 329.29382 184.3
[M]+ 308.31860 188.3
[M]- 308.31970 188.3
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