CID 6435915

2-(2-((1e)-1-heptadecenyl)-4,5-dihydro-1h-imidazol-1-yl)ethanol

Structural Information

Molecular Formula
C22H42N2O
SMILES
CCCCCCCCCCCCCCC/C=C/C1=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/b17-16+
InChIKey
BNGLZYYFFZFNDJ-WUKNDPDISA-N
Compound name
2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

346
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 196.7
[M+Na]+ 373.31892 198.1
[M-H]- 349.32242 193.3
[M+NH4]+ 368.36352 208.3
[M+K]+ 389.29286 192.3
[M+H-H2O]+ 333.32696 187.1
[M+HCOO]- 395.32790 212.4
[M+CH3COO]- 409.34355 215.0
[M+Na-2H]- 371.30437 193.3
[M]+ 350.32915 200.7
[M]- 350.33025 200.7
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