CID 464480

(2s,3r,4s,5s)-2,5-bis[n-[(3,4-dihydroxyphenyl)carbonyl]amino]-3,4-dihydroxy-1,6-diphenyl hexane

Structural Information

Molecular Formula
C32H32N2O8
SMILES
C1=CC=C(C=C1)C[C@H]([C@H]([C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)O)O)O)O)NC(=O)C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C32H32N2O8/c35-25-13-11-21(17-27(25)37)31(41)33-23(15-19-7-3-1-4-8-19)29(39)30(40)24(16-20-9-5-2-6-10-20)34-32(42)22-12-14-26(36)28(38)18-22/h1-14,17-18,23-24,29-30,35-40H,15-16H2,(H,33,41)(H,34,42)/t23-,24+,29-,30+
InChIKey
GKLMAULNDQMFDX-BMAQFFHMSA-N
Compound name
N-[(2R,3R,4S,5S)-5-[(3,4-dihydroxybenzoyl)amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]-3,4-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

572.2159 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.22318 229.7
[M+Na]+ 595.20512 226.2
[M-H]- 571.20862 233.3
[M+NH4]+ 590.24972 226.5
[M+K]+ 611.17906 224.6
[M+H-H2O]+ 555.21316 218.7
[M+HCOO]- 617.21410 238.9
[M+CH3COO]- 631.22975 251.2
[M+Na-2H]- 593.19057 224.2
[M]+ 572.21535 225.2
[M]- 572.21645 225.2
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.