CID 453033

Azddf-ribofuranosyl-t

Structural Information

Molecular Formula
C29H26FN5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N=[N+]=[N-])F
InChI
InChI=1S/C29H26FN5O4/c1-19-17-35(28(37)32-26(19)36)27-24(30)25(33-34-31)23(39-27)18-38-29(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-17,23-25,27H,18H2,1H3,(H,32,36,37)/t23-,24-,25-,27-/m1/s1
InChIKey
ROMMFHSLNJIJCT-DLGLWYJGSA-N
Compound name
1-[(2R,3R,4R,5S)-4-azido-3-fluoro-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

527.1969 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.20418 227.5
[M+Na]+ 550.18612 231.0
[M-H]- 526.18962 240.8
[M+NH4]+ 545.23072 228.3
[M+K]+ 566.16006 220.0
[M+H-H2O]+ 510.19416 216.7
[M+HCOO]- 572.19510 247.1
[M+CH3COO]- 586.21075 245.2
[M+Na-2H]- 548.17157 231.8
[M]+ 527.19635 223.4
[M]- 527.19745 223.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.