CID 77634301

Lucuminamide

Structural Information

Molecular Formula
C19H27NO11
SMILES
C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C3=CC=CC=C3)C(=O)N)O)O)O)O)O)O
InChI
InChI=1S/C19H27NO11/c20-17(27)16(8-4-2-1-3-5-8)31-19-15(26)13(24)12(23)10(30-19)7-29-18-14(25)11(22)9(21)6-28-18/h1-5,9-16,18-19,21-26H,6-7H2,(H2,20,27)
InChIKey
YEFUVRSZAHTXCA-UHFFFAOYSA-N
Compound name
2-phenyl-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

445.15842 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.16570 200.5
[M+Na]+ 468.14764 204.8
[M+NH4]+ 463.19224 200.9
[M+K]+ 484.12158 207.0
[M-H]- 444.15114 201.9
[M+Na-2H]- 466.13309 197.1
[M]+ 445.15787 200.5
[M]- 445.15897 200.5
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

patents stripe