CID 111973

Isostearyl imidazoline

Structural Information

Molecular Formula
C22H44N2O
SMILES
CC(C)CCCCCCCCCCCCCCC1=NCCN1CCO
InChI
InChI=1S/C22H44N2O/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-23-17-18-24(22)19-20-25/h21,25H,3-20H2,1-2H3
InChIKey
AVPHZAHGVBYDBS-UHFFFAOYSA-N
Compound name
2-[2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

352.34537 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.35265 197.6
[M+Na]+ 375.33459 204.4
[M+NH4]+ 370.37919 202.4
[M+K]+ 391.30853 198.0
[M-H]- 351.33809 196.4
[M+Na-2H]- 373.32004 197.4
[M]+ 352.34482 197.8
[M]- 352.34592 197.8
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