PubChemLite - 73051-69-1 (C23H22N6O4)

Structural Information

Molecular Formula

SMILES

C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)N=C2NC4=CC5=C(C=C4)C6=CC=CC=C6C5)CO)O

InChI

InChI=1S/C23H22N6O4/c24-22-27-20-19(21(32)28-22)26-23(29(20)18-9-16(31)17(10-30)33-18)25-13-5-6-15-12(8-13)7-11-3-1-2-4-14(11)15/h1-6,8,16-18,30-31H,7,9-10H2,(H,25,26)(H3,24,27,28,32)/t16-,17+,18+/m0/s1

InChIKey

RMYQNJYFBAYPNG-RCCFBDPRSA-N

Compound name

2-amino-8-(9H-fluoren-2-ylamino)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

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]+	447.17754	197.2
[M+Na]+	469.15948	206.5
[M-H]-	445.16298	204.4
[M+NH4]+	464.20408	205.5
[M+K]+	485.13342	200.4
[M+H-H2O]+	429.16752	189.6
[M+HCOO]-	491.16846	211.5
[M+CH3COO]-	505.18411	205.5
[M+Na-2H]-	467.14493	196.2
[M]+	446.16971	198.5
[M]-	446.17081	198.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.17754

197.2

[M+Na]+

469.15948

206.5

[M-H]-

445.16298

204.4

[M+NH4]+

464.20408

205.5

[M+K]+

485.13342

200.4

[M+H-H2O]+

429.16752

189.6

[M+HCOO]-

491.16846

211.5

[M+CH3COO]-

505.18411

205.5

[M+Na-2H]-

467.14493

196.2

[M]+

446.16971

198.5

[M]-

446.17081

198.5

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

73051-69-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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