CID 464474

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

Structural Information

Molecular Formula
C32H32N2O4
SMILES
C1=CC=C(C=C1)C[C@H]([C@@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O)O)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C32H32N2O4/c35-29(27(21-23-13-5-1-6-14-23)33-31(37)25-17-9-3-10-18-25)30(36)28(22-24-15-7-2-8-16-24)34-32(38)26-19-11-4-12-20-26/h1-20,27-30,35-36H,21-22H2,(H,33,37)(H,34,38)/t27-,28+,29+,30-
InChIKey
NNEQZZDVJCYMSL-LPOKLPNDSA-N
Compound name
N-[(2S,3R,4S,5R)-5-benzamido-3,4-dihydroxy-1,6-diphenylhexan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

508.2362 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.24348 221.7
[M+Na]+ 531.22542 217.8
[M-H]- 507.22892 228.9
[M+NH4]+ 526.27002 223.0
[M+K]+ 547.19936 213.5
[M+H-H2O]+ 491.23346 209.9
[M+HCOO]- 553.23440 236.2
[M+CH3COO]- 567.25005 243.4
[M+Na-2H]- 529.21087 219.3
[M]+ 508.23565 216.7
[M]- 508.23675 216.7
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.