PubChemLite - 5'-meoglypo3(et)azt (C15H23N6O8P)

Structural Information

Molecular Formula

SMILES

CCOP(=O)(NCC(=O)OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]

InChI

InChI=1S/C15H23N6O8P/c1-4-27-30(25,17-6-13(22)26-3)28-8-11-10(19-20-16)5-12(29-11)21-7-9(2)14(23)18-15(21)24/h7,10-12H,4-6,8H2,1-3H3,(H,17,25)(H,18,23,24)/t10-,11+,12+,30?/m0/s1

InChIKey

JZXDLBYLPQSXKV-RNINEVKISA-N

Compound name

methyl 2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]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]+	447.13878	193.3
[M+Na]+	469.12072	196.5
[M-H]-	445.12422	198.8
[M+NH4]+	464.16532	199.2
[M+K]+	485.09466	192.4
[M+H-H2O]+	429.12876	185.8
[M+HCOO]-	491.12970	221.9
[M+CH3COO]-	505.14535	230.8
[M+Na-2H]-	467.10617	199.3
[M]+	446.13095	196.2
[M]-	446.13205	196.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.13878

193.3

[M+Na]+

469.12072

196.5

[M-H]-

445.12422

198.8

[M+NH4]+

464.16532

199.2

[M+K]+

485.09466

192.4

[M+H-H2O]+

429.12876

185.8

[M+HCOO]-

491.12970

221.9

[M+CH3COO]-

505.14535

230.8

[M+Na-2H]-

467.10617

199.3

[M]+

446.13095

196.2

[M]-

446.13205

196.2

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

5'-meoglypo3(et)azt

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe