CID 31857

Disodium 1-[2-(carboxymethoxy)ethyl]-1-(carboxymethyl)-4,5-dihydro-2-undecyl-1h-imidazolium hydroxide

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
3
Annotation Hits

1
References

2101
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 197.7
[M-H]- 384.26295 192.4
[M+NH4]+ 403.30405 206.8
[M+K]+ 424.23339 188.8
[M+H-H2O]+ 368.26749 191.0
[M+HCOO]- 430.26843 209.4
[M+CH3COO]- 444.28408 208.0
[M+Na-2H]- 406.24490 195.7
[M]+ 385.26968 199.5
[M]- 385.27078 199.5
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