CID 3007958

2-(6-aminopurin-9-yl)ethoxymethyl-[(z)-(3,4-dimethoxy-5-oxo-2-furylidene)methoxy]phosphinic acid

Structural Information

Molecular Formula
C15H18N5O8P
SMILES
COC\1=C(C(=O)O/C1=C\OP(=O)(COCCN2C=NC3=C(N=CN=C32)N)O)OC
InChI
InChI=1S/C15H18N5O8P/c1-24-11-9(28-15(21)12(11)25-2)5-27-29(22,23)8-26-4-3-20-7-19-10-13(16)17-6-18-14(10)20/h5-7H,3-4,8H2,1-2H3,(H,22,23)(H2,16,17,18)/b9-5-
InChIKey
PADBGRAHQQHGRC-UITAMQMPSA-N
Compound name
2-(6-aminopurin-9-yl)ethoxymethyl-[(Z)-(3,4-dimethoxy-5-oxofuran-2-ylidene)methoxy]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

427.0893 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.09658 191.4
[M+Na]+ 450.07852 198.9
[M-H]- 426.08202 193.3
[M+NH4]+ 445.12312 198.0
[M+K]+ 466.05246 198.9
[M+H-H2O]+ 410.08656 180.4
[M+HCOO]- 472.08750 214.0
[M+CH3COO]- 486.10315 224.2
[M+Na-2H]- 448.06397 191.5
[M]+ 427.08875 200.4
[M]- 427.08985 200.4
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

patents stripe