CID 44152808

Unii-dl6516pat8

Structural Information

Molecular Formula
C26H50N2O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CCN(CC(=O)O)CC(=O)O)CCO
InChI
InChI=1S/C26H50N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)28(20-21-29)19-18-27(22-25(31)32)23-26(33)34/h29H,2-23H2,1H3,(H,31,32)(H,33,34)
InChIKey
RBHNUKRFJZQQGB-UHFFFAOYSA-N
Compound name
2-[carboxymethyl-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

486.36688 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.37416 234.9
[M+Na]+ 509.35610 243.9
[M-H]- 485.35960 233.0
[M+NH4]+ 504.40070 239.3
[M+K]+ 525.33004 240.2
[M+H-H2O]+ 469.36414 235.3
[M+HCOO]- 531.36508 232.2
[M+CH3COO]- 545.38073 246.7
[M+Na-2H]- 507.34155 222.8
[M]+ 486.36633 230.0
[M]- 486.36743 230.0
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.