PubChemLite - 2'-cl-damp (C10H13ClN5O6P)

Structural Information

Molecular Formula

SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)Cl)N

InChI

InChI=1S/C10H13ClN5O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1

InChIKey

NQHONDYKQCGOQI-QYYRPYCUSA-N

Compound name

[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-chloro-3-hydroxyoxolan-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]+	366.03648	175.0
[M+Na]+	388.01842	183.8
[M-H]-	364.02192	174.6
[M+NH4]+	383.06302	184.1
[M+K]+	403.99236	181.8
[M+H-H2O]+	348.02646	165.7
[M+HCOO]-	410.02740	189.7
[M+CH3COO]-	424.04305	206.9
[M+Na-2H]-	386.00387	174.5
[M]+	365.02865	178.3
[M]-	365.02975	178.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

366.03648

175.0

[M+Na]+

388.01842

183.8

[M-H]-

364.02192

174.6

[M+NH4]+

383.06302

184.1

[M+K]+

403.99236

181.8

[M+H-H2O]+

348.02646

165.7

[M+HCOO]-

410.02740

189.7

[M+CH3COO]-

424.04305

206.9

[M+Na-2H]-

386.00387

174.5

[M]+

365.02865

178.3

[M]-

365.02975

178.3

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

2'-cl-damp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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