PubChemLite - 3'-o-(4,4'-dimethoxytrityl)-thymidine (C31H32N2O7)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C31H32N2O7/c1-20-18-33(30(36)32-29(20)35)28-17-26(27(19-34)39-28)40-31(21-7-5-4-6-8-21,22-9-13-24(37-2)14-10-22)23-11-15-25(38-3)16-12-23/h4-16,18,26-28,34H,17,19H2,1-3H3,(H,32,35,36)/t26-,27+,28+/m0/s1

InChIKey

UDDSFNVDTHTTMK-UPRLRBBYSA-N

Compound name

1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-(hydroxymethyl)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]+	545.22823	230.8
[M+Na]+	567.21017	235.6
[M-H]-	543.21367	242.3
[M+NH4]+	562.25477	230.7
[M+K]+	583.18411	231.7
[M+H-H2O]+	527.21821	218.0
[M+HCOO]-	589.21915	243.5
[M+CH3COO]-	603.23480	245.0
[M+Na-2H]-	565.19562	228.5
[M]+	544.22040	233.6
[M]-	544.22150	233.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

545.22823

230.8

[M+Na]+

567.21017

235.6

[M-H]-

543.21367

242.3

[M+NH4]+

562.25477

230.7

[M+K]+

583.18411

231.7

[M+H-H2O]+

527.21821

218.0

[M+HCOO]-

589.21915

243.5

[M+CH3COO]-

603.23480

245.0

[M+Na-2H]-

565.19562

228.5

[M]+

544.22040

233.6

[M]-

544.22150

233.6

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

3'-o-(4,4'-dimethoxytrityl)-thymidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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