CID 11307534

Ec 406-360-9

Structural Information

Molecular Formula
C30H30N2O7S
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)OS(=O)(=O)C
InChI
InChI=1S/C30H30N2O7S/c1-21-19-32(29(34)31-28(21)33)27-18-25(39-40(2,35)36)26(38-27)20-37-30(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,19,25-27H,18,20H2,1-2H3,(H,31,33,34)/t25-,26-,27-/m1/s1
InChIKey
NLAIOTWSOVURMN-ZONZVBGPSA-N
Compound name
[(2R,3R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

562.17737 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.18465 229.3
[M+Na]+ 585.16659 243.1
[M+NH4]+ 580.21119 232.8
[M+K]+ 601.14053 237.6
[M-H]- 561.17009 236.3
[M+Na-2H]- 583.15204 238.8
[M]+ 562.17682 233.8
[M]- 562.17792 233.8
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

patents stripe