CID 54689038

N-[3-[cyclopropyl[4-hydroxy-2-oxo-6-[1-(phenylmethyl)propyl]-2h-pyran-3-yl]methyl]phenyl]-(4-pyridyl)acetamide

Structural Information

Molecular Formula
C32H32N2O4
SMILES
CCC(CC1=CC=CC=C1)C2=CC(=C(C(=O)O2)C(C3CC3)C4=CC(=CC=C4)NC(=O)CC5=CC=NC=C5)O
InChI
InChI=1S/C32H32N2O4/c1-2-23(17-21-7-4-3-5-8-21)28-20-27(35)31(32(37)38-28)30(24-11-12-24)25-9-6-10-26(19-25)34-29(36)18-22-13-15-33-16-14-22/h3-10,13-16,19-20,23-24,30,35H,2,11-12,17-18H2,1H3,(H,34,36)
InChIKey
RTXCQPDBXIDIQX-UHFFFAOYSA-N
Compound name
N-[3-[cyclopropyl-[4-hydroxy-2-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]-2-pyridin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

508.2362 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.24348 217.7
[M+Na]+ 531.22542 221.8
[M-H]- 507.22892 230.2
[M+NH4]+ 526.27002 214.9
[M+K]+ 547.19936 216.8
[M+H-H2O]+ 491.23346 205.9
[M+HCOO]- 553.23440 234.6
[M+CH3COO]- 567.25005 223.7
[M+Na-2H]- 529.21087 216.8
[M]+ 508.23565 220.7
[M]- 508.23675 220.7
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.