CID 452734

2'-morph-5'(4meotrityl)ddu

Structural Information

Molecular Formula
C33H35N3O6
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@@H]4C[C@H]([C@@H](O4)N5C=CC(=O)NC5=O)N6CCOCC6
InChI
InChI=1S/C33H35N3O6/c1-39-27-14-12-26(13-15-27)33(24-8-4-2-5-9-24,25-10-6-3-7-11-25)41-23-28-22-29(35-18-20-40-21-19-35)31(42-28)36-17-16-30(37)34-32(36)38/h2-17,28-29,31H,18-23H2,1H3,(H,34,37,38)/t28-,29+,31+/m0/s1
InChIKey
YAFDQUOOFSSRBE-ILJQZKEFSA-N
Compound name
1-[(2R,3R,5S)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-morpholin-4-yloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.25256 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.25984 234.2
[M+Na]+ 592.24178 235.6
[M-H]- 568.24528 247.0
[M+NH4]+ 587.28638 229.6
[M+K]+ 608.21572 231.8
[M+H-H2O]+ 552.24982 219.2
[M+HCOO]- 614.25076 242.0
[M+CH3COO]- 628.26641 237.9
[M+Na-2H]- 590.22723 231.4
[M]+ 569.25201 231.0
[M]- 569.25311 231.0
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.