CID 44146297

Propanoic acid, 3-(2-(2-(9z)-9-octadecenyl-1h-imidazol-1-yl)ethoxy)-, sodium salt

Structural Information

Molecular Formula
C26H46N2O3
SMILES
CCCCCCCCCC(CCCCC/C=C/C)C1=NC=CN1CCOCCC(=O)O
InChI
InChI=1S/C26H46N2O3/c1-3-5-7-9-11-13-15-17-24(16-14-12-10-8-6-4-2)26-27-19-20-28(26)21-23-31-22-18-25(29)30/h4,6,19-20,24H,3,5,7-18,21-23H2,1-2H3,(H,29,30)/b6-4+
InChIKey
KXALUOYZNUKQSN-GQCTYLIASA-N
Compound name
3-[2-[2-[(E)-octadec-2-en-9-yl]imidazol-1-yl]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.35083 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.35811 218.2
[M+Na]+ 457.34005 218.4
[M-H]- 433.34355 214.7
[M+NH4]+ 452.38465 226.0
[M+K]+ 473.31399 212.9
[M+H-H2O]+ 417.34809 208.0
[M+HCOO]- 479.34903 232.6
[M+CH3COO]- 493.36468 230.8
[M+Na-2H]- 455.32550 211.6
[M]+ 434.35028 225.9
[M]- 434.35138 225.9
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.