CID 15839610

Bis-palmitoyl tromethamine

Structural Information

Molecular Formula
C36H71NO5
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCC)N
InChI
InChI=1S/C36H71NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(39)41-32-36(37,31-38)33-42-35(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38H,3-33,37H2,1-2H3
InChIKey
GVKXQWJWYPCNOW-UHFFFAOYSA-N
Compound name
[2-amino-2-(hexadecanoyloxymethyl)-3-hydroxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

597.5332 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.54048 254.7
[M+Na]+ 620.52242 258.2
[M+NH4]+ 615.56702 256.0
[M+K]+ 636.49636 256.2
[M-H]- 596.52592 242.2
[M+Na-2H]- 618.50787 254.7
[M]+ 597.53265 251.9
[M]- 597.53375 251.9
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.