CID 495646

Nsc665481

Structural Information

Molecular Formula
C48H42N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C48H42N2O5/c1-35-33-50(46(52)49-45(35)51)44-32-42(55-48(39-26-14-5-15-27-39,40-28-16-6-17-29-40)41-30-18-7-19-31-41)43(54-44)34-53-47(36-20-8-2-9-21-36,37-22-10-3-11-23-37)38-24-12-4-13-25-38/h2-31,33,42-44H,32,34H2,1H3,(H,49,51,52)/t42-,43+,44+/m1/s1
InChIKey
AHGSBULIKYTJJP-UJACMYAQSA-N
Compound name
5-methyl-1-[(2S,4R,5S)-4-trityloxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

726.3094 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 727.31668 267.8
[M+Na]+ 749.29862 266.8
[M-H]- 725.30212 284.8
[M+NH4]+ 744.34322 258.0
[M+K]+ 765.27256 260.8
[M+H-H2O]+ 709.30666 249.7
[M+HCOO]- 771.30760 275.5
[M+CH3COO]- 785.32325 268.4
[M+Na-2H]- 747.28407 265.3
[M]+ 726.30885 263.1
[M]- 726.30995 263.1
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.