CID 110305

Methyl 3-(2-(2-undecyl-2-imidazolin-1-yl)ethoxy)propionate

Structural Information

Molecular Formula
C20H38N2O3
SMILES
CCCCCCCCCCCC1=NCCN1CCOCCC(=O)OC
InChI
InChI=1S/C20H38N2O3/c1-3-4-5-6-7-8-9-10-11-12-19-21-14-15-22(19)16-18-25-17-13-20(23)24-2/h3-18H2,1-2H3
InChIKey
MDACUSSBOYFWQT-UHFFFAOYSA-N
Compound name
methyl 3-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.28824 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.29552 193.9
[M+Na]+ 377.27746 196.2
[M-H]- 353.28096 192.4
[M+NH4]+ 372.32206 205.9
[M+K]+ 393.25140 193.3
[M+H-H2O]+ 337.28550 184.4
[M+HCOO]- 399.28644 211.3
[M+CH3COO]- 413.30209 216.2
[M+Na-2H]- 375.26291 191.0
[M]+ 354.28769 201.4
[M]- 354.28879 201.4
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

No patent data available for this compound.