CID 16219163

171039-13-7

Structural Information

Molecular Formula
C24H49NO3
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCC)O
InChI
InChI=1S/C24H49NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h22-23,26-27H,3-21H2,1-2H3,(H,25,28)/t22-,23+/m0/s1
InChIKey
VUMHYWBWYSPQMM-XZOQPEGZSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

21
Patents

399.37125 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.37853 213.7
[M+Na]+ 422.36047 211.1
[M-H]- 398.36397 207.7
[M+NH4]+ 417.40507 217.9
[M+K]+ 438.33441 206.9
[M+H-H2O]+ 382.36851 205.6
[M+HCOO]- 444.36945 222.3
[M+CH3COO]- 458.38510 227.4
[M+Na-2H]- 420.34592 206.7
[M]+ 399.37070 218.6
[M]- 399.37180 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.