CID 3008316

2,3-anhydro-1,5,6-trideoxy-1,5-bis[(phenoxyacetyl)amino]-6-phenyl-l-glucitol

Structural Information

Molecular Formula
C28H30N2O6
SMILES
C1=CC=C(C=C1)C[C@@H]([C@@H]([C@@H]2[C@H](O2)CNC(=O)COC3=CC=CC=C3)O)NC(=O)COC4=CC=CC=C4
InChI
InChI=1S/C28H30N2O6/c31-25(18-34-21-12-6-2-7-13-21)29-17-24-28(36-24)27(33)23(16-20-10-4-1-5-11-20)30-26(32)19-35-22-14-8-3-9-15-22/h1-15,23-24,27-28,33H,16-19H2,(H,29,31)(H,30,32)/t23-,24+,27-,28-/m0/s1
InChIKey
UEISRMBVZWIZKK-JZTSUELASA-N
Compound name
N-[[(2R,3R)-3-[(1S,2S)-1-hydroxy-2-[(2-phenoxyacetyl)amino]-3-phenylpropyl]oxiran-2-yl]methyl]-2-phenoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.2104 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.21768 206.4
[M+Na]+ 513.19962 207.3
[M-H]- 489.20312 216.8
[M+NH4]+ 508.24422 205.0
[M+K]+ 529.17356 205.0
[M+H-H2O]+ 473.20766 196.0
[M+HCOO]- 535.20860 225.3
[M+CH3COO]- 549.22425 241.2
[M+Na-2H]- 511.18507 207.5
[M]+ 490.20985 211.0
[M]- 490.21095 211.0
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.