CID 135415625

151006-30-3

Structural Information

Molecular Formula
C10H16N5O6P
SMILES
C1=NC2=C(N1CO[C@H](CCP(=O)(O)O)CO)N=C(NC2=O)N
InChI
InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-4-15(8)5-21-6(3-16)1-2-22(18,19)20/h4,6,16H,1-3,5H2,(H2,18,19,20)(H3,11,13,14,17)/t6-/m1/s1
InChIKey
QVNXYSKNFUJRMI-ZCFIWIBFSA-N
Compound name
[(3R)-3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-4-hydroxybutyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

26
Patents

333.08383 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.09111 172.6
[M+Na]+ 356.07305 179.7
[M-H]- 332.07655 166.3
[M+NH4]+ 351.11765 180.8
[M+K]+ 372.04699 176.9
[M+H-H2O]+ 316.08109 162.6
[M+HCOO]- 378.08203 191.4
[M+CH3COO]- 392.09768 201.5
[M+Na-2H]- 354.05850 174.0
[M]+ 333.08328 174.1
[M]- 333.08438 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe