CID 3012866

.beta.-d-glucopyranoside, phenyl 6-[[2-(acetylamino)-3-methyl-1-oxobutyl]amino]-6-deoxy-3-o-(phenylmethyl)-

Structural Information

Molecular Formula
C26H34N2O7
SMILES
CC(C)C(C(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2)O)OCC3=CC=CC=C3)O)NC(=O)C
InChI
InChI=1S/C26H34N2O7/c1-16(2)21(28-17(3)29)25(32)27-14-20-22(30)24(33-15-18-10-6-4-7-11-18)23(31)26(35-20)34-19-12-8-5-9-13-19/h4-13,16,20-24,26,30-31H,14-15H2,1-3H3,(H,27,32)(H,28,29)/t20-,21?,22-,23-,24+,26-/m1/s1
InChIKey
XVQYTHQXOOEHTO-DKYBZROHSA-N
Compound name
2-acetamido-N-[[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-phenoxy-4-phenylmethoxyoxan-2-yl]methyl]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.2366 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.24388 217.8
[M+Na]+ 509.22582 216.6
[M-H]- 485.22932 223.7
[M+NH4]+ 504.27042 220.5
[M+K]+ 525.19976 216.3
[M+H-H2O]+ 469.23386 207.2
[M+HCOO]- 531.23480 230.7
[M+CH3COO]- 545.25045 242.1
[M+Na-2H]- 507.21127 213.3
[M]+ 486.23605 217.3
[M]- 486.23715 217.3
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.