CID 497648

1-[(2r,4s,5s)-5-[bis(4-methoxyphenyl)-phenyl-methoxy]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C30H30N2O7
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)OC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
InChI
InChI=1S/C30H30N2O7/c1-19-18-32(29(35)31-27(19)34)26-17-25(33)28(38-26)39-30(20-7-5-4-6-8-20,21-9-13-23(36-2)14-10-21)22-11-15-24(37-3)16-12-22/h4-16,18,25-26,28,33H,17H2,1-3H3,(H,31,34,35)/t25-,26+,28+/m0/s1
InChIKey
LUAHGEZZHJNFHK-ZRRKCSAHSA-N
Compound name
1-[(2R,4S,5S)-5-[bis(4-methoxyphenyl)-phenylmethoxy]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

530.2053 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.21258 226.6
[M+Na]+ 553.19452 231.9
[M-H]- 529.19802 238.4
[M+NH4]+ 548.23912 227.1
[M+K]+ 569.16846 228.2
[M+H-H2O]+ 513.20256 214.1
[M+HCOO]- 575.20350 239.7
[M+CH3COO]- 589.21915 242.2
[M+Na-2H]- 551.17997 224.8
[M]+ 530.20475 229.2
[M]- 530.20585 229.2
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.