CID 26638

1h-imidazolium, 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-, hydroxide, sodium salt (1:1:2)

Structural Information

Molecular Formula
C18H36N2O4
SMILES
CCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)O
InChI
InChI=1S/C18H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-17(22)19-12-13-20(14-15-21)16-18(23)24/h21H,2-16H2,1H3,(H,19,22)(H,23,24)
InChIKey
ZTYPCHKEXUPZEJ-UHFFFAOYSA-N
Compound name
2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5694
Patents

344.26752 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.27480 190.9
[M+Na]+ 367.25674 190.6
[M-H]- 343.26024 187.5
[M+NH4]+ 362.30134 202.6
[M+K]+ 383.23068 188.8
[M+H-H2O]+ 327.26478 183.0
[M+HCOO]- 389.26572 209.6
[M+CH3COO]- 403.28137 218.6
[M+Na-2H]- 365.24219 188.0
[M]+ 344.26697 195.4
[M]- 344.26807 195.4
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