PubChemLite - Ddf-trityl-pentofuranosyl-t (C29H27FN2O4)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)F

InChI

InChI=1S/C29H27FN2O4/c1-20-18-32(28(34)31-26(20)33)27-25(30)17-24(36-27)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-25,27H,17,19H2,1H3,(H,31,33,34)/t24-,25+,27+/m0/s1

InChIKey

IPKPAMZRQGPDFZ-ZWEKWIFMSA-N

Compound name

1-[(2R,3R,5S)-3-fluoro-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]+	487.20278	218.1
[M+Na]+	509.18472	223.9
[M-H]-	485.18822	229.1
[M+NH4]+	504.22932	221.0
[M+K]+	525.15866	217.5
[M+H-H2O]+	469.19276	204.6
[M+HCOO]-	531.19370	231.7
[M+CH3COO]-	545.20935	224.9
[M+Na-2H]-	507.17017	216.9
[M]+	486.19495	216.2
[M]-	486.19605	216.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

487.20278

218.1

[M+Na]+

509.18472

223.9

[M-H]-

485.18822

229.1

[M+NH4]+

504.22932

221.0

[M+K]+

525.15866

217.5

[M+H-H2O]+

469.19276

204.6

[M+HCOO]-

531.19370

231.7

[M+CH3COO]-

545.20935

224.9

[M+Na-2H]-

507.17017

216.9

[M]+

486.19495

216.2

[M]-

486.19605

216.2

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

Ddf-trityl-pentofuranosyl-t

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe