CID 451881

Xylodapr

Structural Information

Molecular Formula

C₁₀H₁₄N₆O₃

SMILES

C1[C@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N)N)CO)O

InChI

InChI=1S/C10H14N6O3/c11-8-7-9(15-10(12)14-8)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H4,11,12,14,15)/t4-,5-,6-/m1/s1

InChIKey

NOLHIMIFXOBLFF-HSUXUTPPSA-N

Compound name

(2R,3R,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 266.11273 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

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]+	267.12001	157.4
[M+Na]+	289.10195	167.5
[M-H]-	265.10545	159.1
[M+NH4]+	284.14655	170.0
[M+K]+	305.07589	164.2
[M+H-H2O]+	249.10999	149.4
[M+HCOO]-	311.11093	175.3
[M+CH3COO]-	325.12658	168.4
[M+Na-2H]-	287.08740	159.4
[M]+	266.11218	156.4
[M]-	266.11328	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe