PubChemLite - Meocoprnhpo3(et)azt (C17H27N6O8P)

Structural Information

Molecular Formula

SMILES

CCOP(=O)(NCCCC(=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/C17H27N6O8P/c1-4-29-32(27,19-7-5-6-15(24)28-3)30-10-13-12(21-22-18)8-14(31-13)23-9-11(2)16(25)20-17(23)26/h9,12-14H,4-8,10H2,1-3H3,(H,19,27)(H,20,25,26)/t12-,13+,14+,32?/m0/s1

InChIKey

WJZMAVPYIKSQFR-CONJGFJISA-N

Compound name

methyl 4-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]amino]butanoate

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]+	475.17008	202.4
[M+Na]+	497.15202	204.7
[M-H]-	473.15552	207.5
[M+NH4]+	492.19662	229.8
[M+K]+	513.12596	200.3
[M+H-H2O]+	457.16006	194.6
[M+HCOO]-	519.16100	249.9
[M+CH3COO]-	533.17665	236.7
[M+Na-2H]-	495.13747	207.5
[M]+	474.16225	206.0
[M]-	474.16335	206.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.17008

202.4

[M+Na]+

497.15202

204.7

[M-H]-

473.15552

207.5

[M+NH4]+

492.19662

229.8

[M+K]+

513.12596

200.3

[M+H-H2O]+

457.16006

194.6

[M+HCOO]-

519.16100

249.9

[M+CH3COO]-

533.17665

236.7

[M+Na-2H]-

495.13747

207.5

[M]+

474.16225

206.0

[M]-

474.16335

206.0

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

Meocoprnhpo3(et)azt

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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