CID 156961341

23-methyltetracosanoylcarnitine

Structural Information

Molecular Formula
C32H64NO4
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C32H63NO4/c1-29(2)25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-32(36)37-30(27-31(34)35)28-33(3,4)5/h29-30H,6-28H2,1-5H3/p+1
InChIKey
ZZXUHIMBZIABRY-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(23-methyltetracosanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.4835 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.49078 247.4
[M+Na]+ 549.47272 253.9
[M-H]- 525.47622 240.8
[M+NH4]+ 544.51732 252.2
[M+K]+ 565.44666 253.4
[M+H-H2O]+ 509.48076 242.1
[M+HCOO]- 571.48170 251.8
[M+CH3COO]- 585.49735 250.2
[M+Na-2H]- 547.45817 233.7
[M]+ 526.48295 246.0
[M]- 526.48405 246.0
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.