CID 464473

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

Structural Information

Molecular Formula
C34H36N2O6
SMILES
C1=CC=C(C=C1)C[C@H]([C@H]([C@H]([C@H](CC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3O)O)O)NC(=O)CC4=CC=CC=C4O
InChI
InChI=1S/C34H36N2O6/c37-29-17-9-7-15-25(29)21-31(39)35-27(19-23-11-3-1-4-12-23)33(41)34(42)28(20-24-13-5-2-6-14-24)36-32(40)22-26-16-8-10-18-30(26)38/h1-18,27-28,33-34,37-38,41-42H,19-22H2,(H,35,39)(H,36,40)/t27-,28+,33-,34+
InChIKey
XQPNPYIRQAIKOW-MEJBZONZSA-N
Compound name
N-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[[2-(2-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(2-hydroxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

568.2573 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.26458 233.8
[M+Na]+ 591.24652 229.2
[M-H]- 567.25002 238.7
[M+NH4]+ 586.29112 231.6
[M+K]+ 607.22046 225.8
[M+H-H2O]+ 551.25456 222.0
[M+HCOO]- 613.25550 244.9
[M+CH3COO]- 627.27115 252.4
[M+Na-2H]- 589.23197 228.8
[M]+ 568.25675 229.5
[M]- 568.25785 229.5
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.