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]+ 400.378526 213.7
[M+Na]+ 422.360468 211.1
[M-H]- 398.363974 207.7
[M+NH4]+ 417.405073 217.9
[M+K]+ 438.334408 206.9
[M+H-H2O]+ 382.368510 205.6
[M+HCOO]- 444.369451 222.3
[M+CH3COO]- 458.385101 227.4
[M+Na-2H]- 420.345916 206.7
[M]+ 399.37070142 218.6
[M]- 399.37179858 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

literature stripe

Patent stripe

patents stripe