CID 31857

14350-97-1

Structural Information

Molecular Formula
C20H37N2O5
SMILES
CCCCCCCCCCCC1=NCC[N+]1(CCOCC(=O)O)CC(=O)O
InChI
InChI=1S/C20H36N2O5/c1-2-3-4-5-6-7-8-9-10-11-18-21-12-13-22(18,16-19(23)24)14-15-27-17-20(25)26/h2-17H2,1H3,(H-,23,24,25,26)/p+1
InChIKey
YHBPDUQBTBEAFP-UHFFFAOYSA-O
Compound name
2-[1-[2-(carboxymethoxy)ethyl]-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2099
Patents

385.27023 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.27751 195.9
[M+Na]+ 408.25945 202.7
[M+NH4]+ 403.30405 200.5
[M+K]+ 424.23339 198.6
[M-H]- 384.26295 193.3
[M+Na-2H]- 406.24490 196.3
[M]+ 385.26968 195.9
[M]- 385.27078 195.9
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

patents stripe