CID 16728322

[[(1r)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-hydroxy-phosphoryl]boranuide

Structural Information

Molecular Formula
C9H13BN5O3P
SMILES
[B-]P(=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C9H13BN5O3P/c1-6(18-5-19(10,16)17)2-15-4-14-7-8(11)12-3-13-9(7)15/h3-4,6H,2,5H2,1H3,(H,16,17)(H2,11,12,13)/q-1/t6-/m1/s1
InChIKey
CEESVIAMVMXYBC-ZCFIWIBFSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

281.0849 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09218 162.1
[M+Na]+ 304.07412 169.9
[M-H]- 280.07762 158.0
[M+NH4]+ 299.11872 174.1
[M+K]+ 320.04806 167.6
[M+H-H2O]+ 264.08216 153.8
[M+HCOO]- 326.08310 184.3
[M+CH3COO]- 340.09875 196.3
[M+Na-2H]- 302.05957 164.9
[M]+ 281.08435 162.5
[M]- 281.08545 162.5
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.