CID 54485594

Palmitoyl myristyl serinate

Structural Information

Molecular Formula
C33H65NO4
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)OCCCCCCCCCCCCCC
InChI
InChI=1S/C33H65NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32(36)34-31(30-35)33(37)38-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h31,35H,3-30H2,1-2H3,(H,34,36)/t31-/m0/s1
InChIKey
XSBIBIYYGMXJED-HKBQPEDESA-N
Compound name
tetradecyl (2S)-2-(hexadecanoylamino)-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

111
Patents

539.49133 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.49861 252.7
[M+Na]+ 562.48055 259.1
[M-H]- 538.48405 241.2
[M+NH4]+ 557.52515 252.9
[M+K]+ 578.45449 258.6
[M+H-H2O]+ 522.48859 251.8
[M+HCOO]- 584.48953 253.4
[M+CH3COO]- 598.50518 256.1
[M+Na-2H]- 560.46600 237.0
[M]+ 539.49078 249.6
[M]- 539.49188 249.6
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