CID 464477

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

Structural Information

Molecular Formula
C32H32N2O6
SMILES
C1=CC=C(C=C1)C[C@H]([C@H]([C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3O)O)O)NC(=O)C4=CC=CC=C4O
InChI
InChI=1S/C32H32N2O6/c35-27-17-9-7-15-23(27)31(39)33-25(19-21-11-3-1-4-12-21)29(37)30(38)26(20-22-13-5-2-6-14-22)34-32(40)24-16-8-10-18-28(24)36/h1-18,25-26,29-30,35-38H,19-20H2,(H,33,39)(H,34,40)/t25-,26+,29-,30+
InChIKey
CKKNCVOMNIJJHM-JXALSKIBSA-N
Compound name
N-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[(2-hydroxybenzoyl)amino]-1,6-diphenylhexan-2-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

540.226 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.23328 225.7
[M+Na]+ 563.21522 222.1
[M-H]- 539.21872 231.1
[M+NH4]+ 558.25982 224.7
[M+K]+ 579.18916 219.0
[M+H-H2O]+ 523.22326 214.4
[M+HCOO]- 585.22420 237.6
[M+CH3COO]- 599.23985 246.9
[M+Na-2H]- 561.20067 221.7
[M]+ 540.22545 220.9
[M]- 540.22655 220.9
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.