PubChemLite - 9h-purine, 6-chloro-9-[(2s,4r)-4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]tetrahydro-4-phenyl-2-furanyl]- (C22H29ClN4O2Si)

Structural Information

Molecular Formula

SMILES

CC(C)(C)[Si](C)(C)OC[C@]1(C[C@H](OC1)N2C=NC3=C2N=CN=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H29ClN4O2Si/c1-21(2,3)30(4,5)29-13-22(16-9-7-6-8-10-16)11-17(28-12-22)27-15-26-18-19(23)24-14-25-20(18)27/h6-10,14-15,17H,11-13H2,1-5H3/t17-,22+/m0/s1

InChIKey

LAZYTOXYDXPNNE-HTAPYJJXSA-N

Compound name

tert-butyl-[[(3R,5S)-5-(6-chloropurin-9-yl)-3-phenyloxolan-3-yl]methoxy]-dimethylsilane

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]+	445.18212	207.8
[M+Na]+	467.16406	216.6
[M-H]-	443.16756	214.3
[M+NH4]+	462.20866	218.2
[M+K]+	483.13800	211.8
[M+H-H2O]+	427.17210	197.4
[M+HCOO]-	489.17304	216.2
[M+CH3COO]-	503.18869	216.4
[M+Na-2H]-	465.14951	209.8
[M]+	444.17429	213.8
[M]-	444.17539	213.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.18212

207.8

[M+Na]+

467.16406

216.6

[M-H]-

443.16756

214.3

[M+NH4]+

462.20866

218.2

[M+K]+

483.13800

211.8

[M+H-H2O]+

427.17210

197.4

[M+HCOO]-

489.17304

216.2

[M+CH3COO]-

503.18869

216.4

[M+Na-2H]-

465.14951

209.8

[M]+

444.17429

213.8

[M]-

444.17539

213.8

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

9h-purine, 6-chloro-9-[(2s,4r)-4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]tetrahydro-4-phenyl-2-furanyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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