CID 468187

5-ome-cyclosal-f-ara-ddamp

Structural Information

Molecular Formula
C18H19FN5O6P
SMILES
COC1=CC2=C(C=C1)OP(=O)(OC2)OC[C@@H]3C[C@@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)F
InChI
InChI=1S/C18H19FN5O6P/c1-26-11-2-3-14-10(4-11)6-27-31(25,30-14)28-7-12-5-13(19)18(29-12)24-9-23-15-16(20)21-8-22-17(15)24/h2-4,8-9,12-13,18H,5-7H2,1H3,(H2,20,21,22)/t12-,13-,18+,31?/m0/s1
InChIKey
FZNHHDUYEVPCCQ-OHIWTCPOSA-N
Compound name
9-[(2R,3S,5S)-3-fluoro-5-[(6-methoxy-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.1057 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.11298 200.0
[M+Na]+ 474.09492 208.7
[M-H]- 450.09842 206.4
[M+NH4]+ 469.13952 206.1
[M+K]+ 490.06886 208.7
[M+H-H2O]+ 434.10296 186.7
[M+HCOO]- 496.10390 217.4
[M+CH3COO]- 510.11955 208.5
[M+Na-2H]- 472.08037 197.3
[M]+ 451.10515 204.0
[M]- 451.10625 204.0
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

No patent data available for this compound.