PubChemLite - Amp-mor (C14H21N6O7P)

Structural Information

Molecular Formula

SMILES

C1COCCN1P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O

InChI

InChI=1S/C14H21N6O7P/c15-12-9-13(17-6-16-12)20(7-18-9)14-11(22)10(21)8(27-14)5-26-28(23,24)19-1-3-25-4-2-19/h6-8,10-11,14,21-22H,1-5H2,(H,23,24)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1

InChIKey

XXDDQPLHHUHJOU-IDTAVKCVSA-N

Compound name

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid

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]+	417.12822	191.1
[M+Na]+	439.11016	195.3
[M-H]-	415.11366	192.0
[M+NH4]+	434.15476	193.5
[M+K]+	455.08410	195.3
[M+H-H2O]+	399.11820	179.7
[M+HCOO]-	461.11914	203.7
[M+CH3COO]-	475.13479	218.8
[M+Na-2H]-	437.09561	188.2
[M]+	416.12039	189.4
[M]-	416.12149	189.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

417.12822

191.1

[M+Na]+

439.11016

195.3

[M-H]-

415.11366

192.0

[M+NH4]+

434.15476

193.5

[M+K]+

455.08410

195.3

[M+H-H2O]+

399.11820

179.7

[M+HCOO]-

461.11914

203.7

[M+CH3COO]-

475.13479

218.8

[M+Na-2H]-

437.09561

188.2

[M]+

416.12039

189.4

[M]-

416.12149

189.4

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

Amp-mor

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe