CID 486653

2-[(hydroxy-methoxy-methylene-$l^{5}-phosphanyl)amino]-n-tetradecyl-3-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propanamide

Structural Information

Molecular Formula
C25H51N2O9P
SMILES
CCCCCCCCCCCCCCNC(=O)C(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NP(=C)(O)OC
InChI
InChI=1S/C25H51N2O9P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-26-24(32)19(27-37(3,33)34-2)18-35-25-23(31)22(30)21(29)20(17-28)36-25/h19-23,25,27-31,33H,3-18H2,1-2H3,(H,26,32)/t19?,20-,21+,22+,23-,25-,37?/m1/s1
InChIKey
ZEUGCQOZPVQIFQ-QIYHAKIJSA-N
Compound name
2-[(hydroxy-methoxy-methylidene-lambda5-phosphanyl)amino]-N-tetradecyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

554.3332 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.34048 234.2
[M+Na]+ 577.32242 237.3
[M-H]- 553.32592 233.3
[M+NH4]+ 572.36702 230.2
[M+K]+ 593.29636 231.3
[M+H-H2O]+ 537.33046 222.9
[M+HCOO]- 599.33140 243.0
[M+CH3COO]- 613.34705 251.3
[M+Na-2H]- 575.30787 215.5
[M]+ 554.33265 224.6
[M]- 554.33375 224.6
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

No patent data available for this compound.