CID 16728320

[2-(6-aminopurin-9-yl)ethoxymethyl-hydroxy-phosphoryl]boranuide

Structural Information

Molecular Formula
C8H11BN5O3P
SMILES
[B-]P(=O)(COCCN1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C8H11BN5O3P/c9-18(15,16)5-17-2-1-14-4-13-6-7(10)11-3-12-8(6)14/h3-4H,1-2,5H2,(H,15,16)(H2,10,11,12)/q-1
InChIKey
QGUZBXIPLYOZAO-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

267.06924 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07652 157.7
[M+Na]+ 290.05846 166.1
[M-H]- 266.06196 153.5
[M+NH4]+ 285.10306 170.2
[M+K]+ 306.03240 163.5
[M+H-H2O]+ 250.06650 149.3
[M+HCOO]- 312.06744 181.1
[M+CH3COO]- 326.08309 192.5
[M+Na-2H]- 288.04391 162.0
[M]+ 267.06869 158.3
[M]- 267.06979 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.