CID 20846225

68630-92-2

Structural Information

Molecular Formula
C18H32N2O5
SMILES
CCCCCCCC1N(C=CN1CCOCCC(=O)O)CCC(=O)O
InChI
InChI=1S/C18H32N2O5/c1-2-3-4-5-6-7-16-19(10-8-17(21)22)11-12-20(16)13-15-25-14-9-18(23)24/h11-12,16H,2-10,13-15H2,1H3,(H,21,22)(H,23,24)
InChIKey
YWFFVMBWGDDVCZ-UHFFFAOYSA-N
Compound name
3-[3-[2-(2-carboxyethoxy)ethyl]-2-heptyl-2H-imidazol-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.2311 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.23838 188.8
[M+Na]+ 379.22032 191.6
[M-H]- 355.22382 185.4
[M+NH4]+ 374.26492 199.2
[M+K]+ 395.19426 188.6
[M+H-H2O]+ 339.22836 180.4
[M+HCOO]- 401.22930 203.4
[M+CH3COO]- 415.24495 211.4
[M+Na-2H]- 377.20577 184.6
[M]+ 356.23055 193.7
[M]- 356.23165 193.7
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

No patent data available for this compound.