CID 484580

Dpsd

Structural Information

Molecular Formula
C37H73NO5
SMILES
CCCCCCCCCCCCCCCC(=O)NC(COC(=O)CCCCCCCCCCCCCCC)C(OC)OC
InChI
InChI=1S/C37H73NO5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(39)38-34(37(41-3)42-4)33-43-36(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h34,37H,5-33H2,1-4H3,(H,38,39)
InChIKey
IXOVSEYXLIMKPF-UHFFFAOYSA-N
Compound name
[2-(hexadecanoylamino)-3,3-dimethoxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

611.5489 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.55618 268.8
[M+Na]+ 634.53812 275.6
[M-H]- 610.54162 258.3
[M+NH4]+ 629.58272 273.6
[M+K]+ 650.51206 277.0
[M+H-H2O]+ 594.54616 269.4
[M+HCOO]- 656.54710 267.3
[M+CH3COO]- 670.56275 271.9
[M+Na-2H]- 632.52357 252.4
[M]+ 611.54835 267.2
[M]- 611.54945 267.2
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

patents stripe