CID 45357456

Tricosanoylglycine

Structural Information

Molecular Formula
C25H49NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C25H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)26-23-25(28)29/h2-23H2,1H3,(H,26,27)(H,28,29)
InChIKey
RDUKYODUVJPRLK-UHFFFAOYSA-N
Compound name
2-(tricosanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

411.37125 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.37853 215.3
[M+Na]+ 434.36047 213.3
[M-H]- 410.36397 210.6
[M+NH4]+ 429.40507 221.0
[M+K]+ 450.33441 208.5
[M+H-H2O]+ 394.36851 206.8
[M+HCOO]- 456.36945 228.9
[M+CH3COO]- 470.38510 231.3
[M+Na-2H]- 432.34592 209.7
[M]+ 411.37070 222.6
[M]- 411.37180 222.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe