CID 379789

Nsc664881

Structural Information

Molecular Formula
C11H14N5O3P
SMILES
C1C(C=CC1N2C=NC3=C(N=CN=C32)N)CP(=O)(O)O
InChI
InChI=1S/C11H14N5O3P/c12-10-9-11(14-5-13-10)16(6-15-9)8-2-1-7(3-8)4-20(17,18)19/h1-2,5-8H,3-4H2,(H2,12,13,14)(H2,17,18,19)
InChIKey
FCWOEAIQZZRERF-UHFFFAOYSA-N
Compound name
[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.08344 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09072 164.6
[M+Na]+ 318.07266 173.0
[M-H]- 294.07616 164.4
[M+NH4]+ 313.11726 177.5
[M+K]+ 334.04660 169.6
[M+H-H2O]+ 278.08070 154.1
[M+HCOO]- 340.08164 187.1
[M+CH3COO]- 354.09729 198.0
[M+Na-2H]- 316.05811 165.3
[M]+ 295.08289 164.2
[M]- 295.08399 164.2
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.