CID 86518

2-(heptadecenyl)-4,5-dihydro-1h-imidazole-1-ethanol

Structural Information

Molecular Formula
C22H42N2O
SMILES
CCCCCCCCCCCCCCCC=CC1=NCCN1CCO
InChI
InChI=1S/C22H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25/h16-17,25H,2-15,18-21H2,1H3
InChIKey
BNGLZYYFFZFNDJ-UHFFFAOYSA-N
Compound name
2-(2-heptadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1948
Patents

350.3297 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.33698 197.1
[M+Na]+ 373.31892 204.3
[M+NH4]+ 368.36352 201.7
[M+K]+ 389.29286 196.9
[M-H]- 349.32242 195.8
[M+Na-2H]- 371.30437 197.1
[M]+ 350.32915 197.3
[M]- 350.33025 197.3
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