CID 452790

2'morph-5'(4meotrityl)dt

Structural Information

Molecular Formula
C34H37N3O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)N6CCOCC6
InChI
InChI=1S/C34H37N3O6/c1-24-22-37(33(39)35-31(24)38)32-30(36-17-19-41-20-18-36)21-29(43-32)23-42-34(25-9-5-3-6-10-25,26-11-7-4-8-12-26)27-13-15-28(40-2)16-14-27/h3-16,22,29-30,32H,17-21,23H2,1-2H3,(H,35,38,39)/t29-,30+,32+/m0/s1
InChIKey
DANNBJDLKPQQSL-XAGDYJCDSA-N
Compound name
1-[(2R,3R,5S)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-morpholin-4-yloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.26825 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.27553 239.9
[M+Na]+ 606.25747 241.7
[M-H]- 582.26097 253.0
[M+NH4]+ 601.30207 235.0
[M+K]+ 622.23141 237.9
[M+H-H2O]+ 566.26551 224.9
[M+HCOO]- 628.26645 247.3
[M+CH3COO]- 642.28210 243.5
[M+Na-2H]- 604.24292 235.9
[M]+ 583.26770 237.4
[M]- 583.26880 237.4
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.