CID 464132

Dmsd

Structural Information

Molecular Formula
C33H65NO5
SMILES
CCCCCCCCCCCCCC(=O)NC(COC(=O)CCCCCCCCCCCCC)C(OC)OC
InChI
InChI=1S/C33H65NO5/c1-5-7-9-11-13-15-17-19-21-23-25-27-31(35)34-30(33(37-3)38-4)29-39-32(36)28-26-24-22-20-18-16-14-12-10-8-6-2/h30,33H,5-29H2,1-4H3,(H,34,35)
InChIKey
LDTMGSSQJXTOKM-UHFFFAOYSA-N
Compound name
[3,3-dimethoxy-2-(tetradecanoylamino)propyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

555.48627 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.49355 255.1
[M+Na]+ 578.47549 262.6
[M-H]- 554.47899 246.2
[M+NH4]+ 573.52009 260.0
[M+K]+ 594.44943 262.4
[M+H-H2O]+ 538.48353 256.2
[M+HCOO]- 600.48447 255.2
[M+CH3COO]- 614.50012 260.9
[M+Na-2H]- 576.46094 240.5
[M]+ 555.48572 253.6
[M]- 555.48682 253.6
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

No patent data available for this compound.