CID 452733

2'pip-5'(4meotrityl)ddu

Structural Information

Molecular Formula
C34H37N3O5
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)N6CCCCC6
InChI
InChI=1S/C34H37N3O5/c1-40-28-17-15-27(16-18-28)34(25-11-5-2-6-12-25,26-13-7-3-8-14-26)41-24-29-23-30(36-20-9-4-10-21-36)32(42-29)37-22-19-31(38)35-33(37)39/h2-3,5-8,11-19,22,29-30,32H,4,9-10,20-21,23-24H2,1H3,(H,35,38,39)/t29-,30+,32+/m0/s1
InChIKey
ANIMSFCAHXXLPF-XAGDYJCDSA-N
Compound name
1-[(2R,3R,5S)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-piperidin-1-yloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.2733 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.28058 235.9
[M+Na]+ 590.26252 236.7
[M-H]- 566.26602 247.8
[M+NH4]+ 585.30712 232.7
[M+K]+ 606.23646 230.9
[M+H-H2O]+ 550.27056 220.4
[M+HCOO]- 612.27150 244.0
[M+CH3COO]- 626.28715 239.1
[M+Na-2H]- 588.24797 232.2
[M]+ 567.27275 230.9
[M]- 567.27385 230.9
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.