CID 101327760

2-(heptadecenyl)-2-imidazoline-1-ethanol

Structural Information

Molecular Formula
C22H42N2O
SMILES
C=CCCCCCCCCCCCCCCCC1=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/h2,25H,1,3-21H2
InChIKey
FYUVBXZAFACZJN-UHFFFAOYSA-N
Compound name
2-(2-heptadec-16-enyl-4,5-dihydroimidazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9
Patents

350.3297 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.33698 196.3
[M+Na]+ 373.31892 197.7
[M-H]- 349.32242 192.9
[M+NH4]+ 368.36352 207.9
[M+K]+ 389.29286 191.9
[M+H-H2O]+ 333.32696 186.7
[M+HCOO]- 395.32790 212.0
[M+CH3COO]- 409.34355 215.7
[M+Na-2H]- 371.30437 193.0
[M]+ 350.32915 200.4
[M]- 350.33025 200.4
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