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 255.4
[M+Na]+ 620.52242 259.9
[M-H]- 596.52592 243.9
[M+NH4]+ 615.56702 255.1
[M+K]+ 636.49636 261.1
[M+H-H2O]+ 580.53046 251.6
[M+HCOO]- 642.53140 257.6
[M+CH3COO]- 656.54705 265.5
[M+Na-2H]- 618.50787 238.1
[M]+ 597.53265 252.8
[M]- 597.53375 252.8
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

No patent data available for this compound.