CID 513455

N-acetyl-o-myristoyl serinal diethylacetal

Structural Information

Molecular Formula
C23H45NO5
SMILES
CCCCCCCCCCCCCC(=O)OCC(C(OCC)OCC)NC(=O)C
InChI
InChI=1S/C23H45NO5/c1-5-8-9-10-11-12-13-14-15-16-17-18-22(26)29-19-21(24-20(4)25)23(27-6-2)28-7-3/h21,23H,5-19H2,1-4H3,(H,24,25)
InChIKey
PITJUTSSTIKXOH-UHFFFAOYSA-N
Compound name
(2-acetamido-3,3-diethoxypropyl) tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.32977 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.33705 213.3
[M+Na]+ 438.31899 228.6
[M-H]- 414.32249 214.3
[M+NH4]+ 433.36359 224.6
[M+K]+ 454.29293 210.9
[M+H-H2O]+ 398.32703 204.8
[M+HCOO]- 460.32797 223.5
[M+CH3COO]- 474.34362 232.6
[M+Na-2H]- 436.30444 206.9
[M]+ 415.32922 218.6
[M]- 415.33032 218.6
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

No patent data available for this compound.