PubChemLite - 2',3'-dideoxy-2',3'-dideoxythymidine-5'-[phenyl-(methyl,-glycyl)] phosphoamidate (C19H22N3O8P)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(NCC(=O)OC)OC3=CC=CC=C3

InChI

InChI=1S/C19H22N3O8P/c1-13-11-22(19(25)21-18(13)24)16-9-8-15(29-16)12-28-31(26,20-10-17(23)27-2)30-14-6-4-3-5-7-14/h3-9,11,15-16H,10,12H2,1-2H3,(H,20,26)(H,21,24,25)/t15-,16+,31?/m0/s1

InChIKey

YVBYXJAHESZZER-XPFOVHSQSA-N

Compound name

methyl 2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]acetate

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]+	452.12172	198.6
[M+Na]+	474.10366	203.4
[M-H]-	450.10716	204.4
[M+NH4]+	469.14826	203.6
[M+K]+	490.07760	202.9
[M+H-H2O]+	434.11170	186.1
[M+HCOO]-	496.11264	222.0
[M+CH3COO]-	510.12829	228.4
[M+Na-2H]-	472.08911	198.3
[M]+	451.11389	204.1
[M]-	451.11499	204.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

452.12172

198.6

[M+Na]+

474.10366

203.4

[M-H]-

450.10716

204.4

[M+NH4]+

469.14826

203.6

[M+K]+

490.07760

202.9

[M+H-H2O]+

434.11170

186.1

[M+HCOO]-

496.11264

222.0

[M+CH3COO]-

510.12829

228.4

[M+Na-2H]-

472.08911

198.3

[M]+

451.11389

204.1

[M]-

451.11499

204.1

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

2',3'-dideoxy-2',3'-dideoxythymidine-5'-[phenyl-(methyl,-glycyl)] phosphoamidate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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