CID 135524684

[5-[(2-amino-6-oxo-1h-purin-9-yl)methoxy]-3-hydroxy-pentyl]-ethoxy-phosphinic acid

Structural Information

Molecular Formula
C13H22N5O6P
SMILES
CCOP(=O)(CCC(CCOCN1C=NC2=C1N=C(NC2=O)N)O)O
InChI
InChI=1S/C13H22N5O6P/c1-2-24-25(21,22)6-4-9(19)3-5-23-8-18-7-15-10-11(18)16-13(14)17-12(10)20/h7,9,19H,2-6,8H2,1H3,(H,21,22)(H3,14,16,17,20)
InChIKey
IYUXBTLCVLLDGE-UHFFFAOYSA-N
Compound name
[5-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypentyl]-ethoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.13077 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.13805 185.1
[M+Na]+ 398.11999 191.2
[M-H]- 374.12349 179.5
[M+NH4]+ 393.16459 192.2
[M+K]+ 414.09393 188.6
[M+H-H2O]+ 358.12803 174.2
[M+HCOO]- 420.12897 204.3
[M+CH3COO]- 434.14462 212.3
[M+Na-2H]- 396.10544 185.6
[M]+ 375.13022 189.4
[M]- 375.13132 189.4
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

No patent data available for this compound.