PubChemLite - 3'-o-mesyl-5'-o-trityl-fmau (C30H29FN2O7S)

Structural Information

Molecular Formula

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)OS(=O)(=O)C)F

InChI

InChI=1S/C30H29FN2O7S/c1-20-18-33(29(35)32-27(20)34)28-25(31)26(40-41(2,36)37)24(39-28)19-38-30(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18,24-26,28H,19H2,1-2H3,(H,32,34,35)/t24-,25+,26-,28-/m1/s1

InChIKey

UAARHHOLHGXMMT-IYOUEGCASA-N

Compound name

[(2R,3R,4S,5R)-4-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] methanesulfonate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	581.17525	236.5
[M+Na]+	603.15719	242.6
[M-H]-	579.16069	248.0
[M+NH4]+	598.20179	236.2
[M+K]+	619.13113	238.1
[M+H-H2O]+	563.16523	224.6
[M+HCOO]-	625.16617	245.0
[M+CH3COO]-	639.18182	247.9
[M+Na-2H]-	601.14264	235.6
[M]+	580.16742	239.9
[M]-	580.16852	239.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

581.17525

236.5

[M+Na]+

603.15719

242.6

[M-H]-

579.16069

248.0

[M+NH4]+

598.20179

236.2

[M+K]+

619.13113

238.1

[M+H-H2O]+

563.16523

224.6

[M+HCOO]-

625.16617

245.0

[M+CH3COO]-

639.18182

247.9

[M+Na-2H]-

601.14264

235.6

[M]+

580.16742

239.9

[M]-

580.16852

239.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

3'-o-mesyl-5'-o-trityl-fmau

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe