PubChemLite - Anhydro-trityl-pentofuranosyl-t (C29H26N2O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C29H26N2O4/c1-20-18-31-27-25(35-28(31)30-26(20)32)17-24(34-27)19-33-29(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/t24-,25-,27+/m0/s1

InChIKey

QGWFVDWBPROXTQ-OHSXHVKISA-N

Compound name

(2R,4S,6S)-11-methyl-4-(trityloxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-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]+	467.19655	210.7
[M+Na]+	489.17849	217.2
[M-H]-	465.18199	223.8
[M+NH4]+	484.22309	217.8
[M+K]+	505.15243	213.5
[M+H-H2O]+	449.18653	200.4
[M+HCOO]-	511.18747	224.9
[M+CH3COO]-	525.20312	219.2
[M+Na-2H]-	487.16394	211.3
[M]+	466.18872	213.4
[M]-	466.18982	213.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.19655

210.7

[M+Na]+

489.17849

217.2

[M-H]-

465.18199

223.8

[M+NH4]+

484.22309

217.8

[M+K]+

505.15243

213.5

[M+H-H2O]+

449.18653

200.4

[M+HCOO]-

511.18747

224.9

[M+CH3COO]-

525.20312

219.2

[M+Na-2H]-

487.16394

211.3

[M]+

466.18872

213.4

[M]-

466.18982

213.4

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

Anhydro-trityl-pentofuranosyl-t

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe