PubChemLite - Trityl-fflt (C29H26F2N2O4)

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)F)F

InChI

InChI=1S/C29H26F2N2O4/c1-19-17-33(28(35)32-26(19)34)27-25(31)24(30)23(37-27)18-36-29(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,32,34,35)/t23-,24-,25-,27-/m1/s1

InChIKey

XDQXGKSNJJSNKN-DLGLWYJGSA-N

Compound name

1-[(2R,3S,4R,5R)-3,4-difluoro-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

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]+	505.19335	222.4
[M+Na]+	527.17529	229.2
[M-H]-	503.17879	232.4
[M+NH4]+	522.21989	224.8
[M+K]+	543.14923	222.3
[M+H-H2O]+	487.18333	208.1
[M+HCOO]-	549.18427	234.9
[M+CH3COO]-	563.19992	228.9
[M+Na-2H]-	525.16074	219.8
[M]+	504.18552	220.1
[M]-	504.18662	220.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.19335

222.4

[M+Na]+

527.17529

229.2

[M-H]-

503.17879

232.4

[M+NH4]+

522.21989

224.8

[M+K]+

543.14923

222.3

[M+H-H2O]+

487.18333

208.1

[M+HCOO]-

549.18427

234.9

[M+CH3COO]-

563.19992

228.9

[M+Na-2H]-

525.16074

219.8

[M]+

504.18552

220.1

[M]-

504.18662

220.1

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

Trityl-fflt

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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