CID 156962318

4-hydroxyhexadecanedioylcarnitine

Structural Information

Molecular Formula
C23H44NO7
SMILES
C[N+](C)(C)CC(CC(=O)O)OC(=O)CCC(CCCCCCCCCCCC(=O)O)O
InChI
InChI=1S/C23H43NO7/c1-24(2,3)18-20(17-22(28)29)31-23(30)16-15-19(25)13-11-9-7-5-4-6-8-10-12-14-21(26)27/h19-20,25H,4-18H2,1-3H3,(H-,26,27,28,29)/p+1
InChIKey
MBYPJUKIHSAGDT-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(15-carboxy-4-hydroxypentadecanoyl)oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.31177 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.31905 213.0
[M+Na]+ 469.30099 192.4
[M+NH4]+ 464.34559 192.7
[M+K]+ 485.27493 186.4
[M-H]- 445.30449 184.7
[M+Na-2H]- 467.28644 195.3
[M]+ 446.31122 187.6
[M]- 446.31232 187.6
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.