CID 44224038

Chebi:192974

Structural Information

Molecular Formula
C25H48NO11P
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)NC=O)O
InChI
InChI=1S/C25H48NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(28)18(26-17-27)16-36-38(34,35)37-25-23(32)21(30)20(29)22(31)24(25)33/h14-15,17-25,28-33H,2-13,16H2,1H3,(H,26,27)(H,34,35)/b15-14+/t18-,19+,20?,21-,22+,23+,24+,25?/m0/s1
InChIKey
XAOVXZHYBYTYJK-VGFOILEOSA-N
Compound name
[(E,2S,3R)-2-formamido-3-hydroxyoctadec-4-enyl] [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.2965 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.30378 232.6
[M+Na]+ 592.28572 229.9
[M-H]- 568.28922 229.4
[M+NH4]+ 587.33032 225.7
[M+K]+ 608.25966 225.3
[M+H-H2O]+ 552.29376 217.6
[M+HCOO]- 614.29470 236.7
[M+CH3COO]- 628.31035 246.9
[M+Na-2H]- 590.27117 211.5
[M]+ 569.29595 222.3
[M]- 569.29705 222.3
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.