PubChemLite - Trityl-lyxofuranosyl-t (C29H25FN2O4)

Structural Information

Molecular Formula

SMILES

CC1=CN2[C@H]3[C@H]([C@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC2=NC1=O)F

InChI

InChI=1S/C29H25FN2O4/c1-19-17-32-27-24(30)25(36-28(32)31-26(19)33)23(35-27)18-34-29(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/t23-,24+,25+,27-/m1/s1

InChIKey

DPSJICBTCIHLOT-DPRQWMOBSA-N

Compound name

(1R,9S,10R,12S)-12-fluoro-4-methyl-10-(trityloxymethyl)-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one

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]+	485.18712	217.6
[M+Na]+	507.16906	224.4
[M-H]-	483.17256	227.4
[M+NH4]+	502.21366	222.6
[M+K]+	523.14300	219.9
[M+H-H2O]+	467.17710	204.4
[M+HCOO]-	529.17804	227.8
[M+CH3COO]-	543.19369	224.6
[M+Na-2H]-	505.15451	219.8
[M]+	484.17929	219.0
[M]-	484.18039	219.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.18712

217.6

[M+Na]+

507.16906

224.4

[M-H]-

483.17256

227.4

[M+NH4]+

502.21366

222.6

[M+K]+

523.14300

219.9

[M+H-H2O]+

467.17710

204.4

[M+HCOO]-

529.17804

227.8

[M+CH3COO]-

543.19369

224.6

[M+Na-2H]-

505.15451

219.8

[M]+

484.17929

219.0

[M]-

484.18039

219.0

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

Trityl-lyxofuranosyl-t

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe