PubChemLite - Oph-n(meocome)po3nh azt (C19H23N6O8P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H23N6O8P/c1-12-10-25(19(28)22-18(12)27)16-8-14(23-24-20)15(32-16)11-31-34(29,21-9-17(26)30-2)33-13-6-4-3-5-7-13/h3-7,10,14-16H,8-9,11H2,1-2H3,(H,21,29)(H,22,27,28)/t14-,15+,16+,34?/m0/s1

InChIKey

MAFZIOQPAZPMFG-MGWFWUSASA-N

Compound name

methyl 2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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]+	495.13878	204.7
[M+Na]+	517.12072	206.6
[M-H]-	493.12422	213.1
[M+NH4]+	512.16532	207.8
[M+K]+	533.09466	201.8
[M+H-H2O]+	477.12876	195.5
[M+HCOO]-	539.12970	233.0
[M+CH3COO]-	553.14535	238.9
[M+Na-2H]-	515.10617	210.8
[M]+	494.13095	206.1
[M]-	494.13205	206.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.13878

204.7

[M+Na]+

517.12072

206.6

[M-H]-

493.12422

213.1

[M+NH4]+

512.16532

207.8

[M+K]+

533.09466

201.8

[M+H-H2O]+

477.12876

195.5

[M+HCOO]-

539.12970

233.0

[M+CH3COO]-

553.14535

238.9

[M+Na-2H]-

515.10617

210.8

[M]+

494.13095

206.1

[M]-

494.13205

206.1

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

Oph-n(meocome)po3nh azt

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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