CID 73556490

68527-99-1

Structural Information

Molecular Formula
C20H38N2O5
SMILES
CCCCCCCCCCCC1=[N+](CC[N+]1(CCO)CC(=O)O)CC(=O)O
InChI
InChI=1S/C20H36N2O5/c1-2-3-4-5-6-7-8-9-10-11-18-21(16-19(24)25)12-13-22(18,14-15-23)17-20(26)27/h23H,2-17H2,1H3/p+2
InChIKey
HVNLBIAMXTXPGS-UHFFFAOYSA-P
Compound name
2-[3-(carboxymethyl)-3-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazole-1,3-diium-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

386.27808 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.28536 196.6
[M+Na]+ 409.26730 198.8
[M-H]- 385.27080 192.6
[M+NH4]+ 404.31190 206.8
[M+K]+ 425.24124 183.8
[M+H-H2O]+ 369.27534 195.1
[M+HCOO]- 431.27628 208.2
[M+CH3COO]- 445.29193 200.1
[M+Na-2H]- 407.25275 198.1
[M]+ 386.27753 197.3
[M]- 386.27863 197.3
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.