PubChemLite - 8-azidoadenosine diphosphate (C10H14N8O10P2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C10H14N8O10P2/c11-7-4-8(14-2-13-7)18(10(15-4)16-17-12)9-6(20)5(19)3(27-9)1-26-30(24,25)28-29(21,22)23/h2-3,5-6,9,19-20H,1H2,(H,24,25)(H2,11,13,14)(H2,21,22,23)/t3-,5-,6-,9-/m1/s1

InChIKey

QKOGBDPZPKWEHG-UUOKFMHZSA-N

Compound name

[(2R,3S,4R,5R)-5-(6-amino-8-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen 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]+	469.03810	192.9
[M+Na]+	491.02004	197.7
[M+NH4]+	486.06464	194.9
[M+K]+	506.99398	195.2
[M-H]-	467.02354	188.0
[M+Na-2H]-	489.00549	194.5
[M]+	468.03027	192.5
[M]-	468.03137	192.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.03810

192.9

[M+Na]+

491.02004

197.7

[M+NH4]+

486.06464

194.9

[M+K]+

506.99398

195.2

[M-H]-

467.02354

188.0

[M+Na-2H]-

489.00549

194.5

[M]+

468.03027

192.5

[M]-

468.03137

192.5

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

8-azidoadenosine diphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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