CID 6320130

[(1s)-2-[6-[2-[ethyl(methyl)amino]ethylamino]purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid

Structural Information

Molecular Formula
C14H25N6O4P
SMILES
CCN(C)CCNC1=C2C(=NC=N1)N(C=N2)C[C@H](C)OCP(=O)(O)O
InChI
InChI=1S/C14H25N6O4P/c1-4-19(3)6-5-15-13-12-14(17-8-16-13)20(9-18-12)7-11(2)24-10-25(21,22)23/h8-9,11H,4-7,10H2,1-3H3,(H,15,16,17)(H2,21,22,23)/t11-/m0/s1
InChIKey
FECPZJCTEHYVOB-NSHDSACASA-N
Compound name
[(2S)-1-[6-[2-[ethyl(methyl)amino]ethylamino]purin-9-yl]propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.16748 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17476 186.9
[M+Na]+ 395.15670 191.8
[M-H]- 371.16020 184.2
[M+NH4]+ 390.20130 195.5
[M+K]+ 411.13064 190.6
[M+H-H2O]+ 355.16474 175.2
[M+HCOO]- 417.16568 209.2
[M+CH3COO]- 431.18133 221.1
[M+Na-2H]- 393.14215 188.8
[M]+ 372.16693 192.6
[M]- 372.16803 192.6
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.