CID 453031

3'-azido-arabino nucleoside

Structural Information

Molecular Formula
C29H27N5O5
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-])O
InChI
InChI=1S/C29H27N5O5/c1-19-17-34(28(37)31-26(19)36)27-25(35)24(32-33-30)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/h2-17,23-25,27,35H,18H2,1H3,(H,31,36,37)/t23-,24-,25+,27-/m1/s1
InChIKey
TWNMXQWDAYXXFF-HIQYAUPDSA-N
Compound name
1-[(2R,3S,4S,5S)-4-azido-3-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

525.20123 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.20851 225.4
[M+Na]+ 548.19045 227.9
[M-H]- 524.19395 238.9
[M+NH4]+ 543.23505 225.6
[M+K]+ 564.16439 217.7
[M+H-H2O]+ 508.19849 215.8
[M+HCOO]- 570.19943 244.8
[M+CH3COO]- 584.21508 242.8
[M+Na-2H]- 546.17590 230.6
[M]+ 525.20068 221.8
[M]- 525.20178 221.8
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.