PubChemLite - 5'-araamp (C9H14N7O7P)

Structural Information

Molecular Formula

SMILES

C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=NC(=NC(=C3N=N2)N)N)O)O)OP(=O)(O)O

InChI

InChI=1S/C9H14N7O7P/c10-6-3-7(13-9(11)12-6)16(15-14-3)8-5(18)4(17)2(23-8)1-22-24(19,20)21/h2,4-5,8,17-18H,1H2,(H2,19,20,21)(H4,10,11,12,13)/t2-,4-,5-,8-/m1/s1

InChIKey

BOEPRCKHMDMCBW-UMMCILCDSA-N

Compound name

[(2R,3S,4R,5R)-5-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

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]+	364.07652	176.7
[M+Na]+	386.05846	184.0
[M-H]-	362.06196	174.2
[M+NH4]+	381.10306	182.3
[M+K]+	402.03240	183.3
[M+H-H2O]+	346.06650	166.8
[M+HCOO]-	408.06744	193.8
[M+CH3COO]-	422.08309	211.1
[M+Na-2H]-	384.04391	176.0
[M]+	363.06869	176.5
[M]-	363.06979	176.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

364.07652

176.7

[M+Na]+

386.05846

184.0

[M-H]-

362.06196

174.2

[M+NH4]+

381.10306

182.3

[M+K]+

402.03240

183.3

[M+H-H2O]+

346.06650

166.8

[M+HCOO]-

408.06744

193.8

[M+CH3COO]-

422.08309

211.1

[M+Na-2H]-

384.04391

176.0

[M]+

363.06869

176.5

[M]-

363.06979

176.5

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

5'-araamp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe