CID 112862

62568-43-8

Structural Information

Molecular Formula
C23H38N2O5
SMILES
CCCCCCCCCC1=CC(=C(C(=C1)CN(C)CC(=O)O)O)CN(C)CC(=O)O
InChI
InChI=1S/C23H38N2O5/c1-4-5-6-7-8-9-10-11-18-12-19(14-24(2)16-21(26)27)23(30)20(13-18)15-25(3)17-22(28)29/h12-13,30H,4-11,14-17H2,1-3H3,(H,26,27)(H,28,29)
InChIKey
ROOXTJQOZOYWLM-UHFFFAOYSA-N
Compound name
2-[[3-[[carboxymethyl(methyl)amino]methyl]-2-hydroxy-5-nonylphenyl]methyl-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

422.27808 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.28536 207.0
[M+Na]+ 445.26730 212.3
[M+NH4]+ 440.31190 209.4
[M+K]+ 461.24124 208.5
[M-H]- 421.27080 205.9
[M+Na-2H]- 443.25275 206.3
[M]+ 422.27753 206.8
[M]- 422.27863 206.8
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