CID 491813

Cd4ap

Structural Information

Molecular Formula
C11H14N5O4P
SMILES
C1[C@H](C=C[C@H]1OCP(=O)(O)O)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H14N5O4P/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-2-8(3-7)20-6-21(17,18)19/h1-2,4-5,7-8H,3,6H2,(H2,12,13,14)(H2,17,18,19)/t7-,8+/m0/s1
InChIKey
XZODRISOVMXWBO-JGVFFNPUSA-N
Compound name
[(1S,4R)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

311.07834 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08562 166.1
[M+Na]+ 334.06756 174.2
[M-H]- 310.07106 166.0
[M+NH4]+ 329.11216 178.3
[M+K]+ 350.04150 171.5
[M+H-H2O]+ 294.07560 155.5
[M+HCOO]- 356.07654 188.8
[M+CH3COO]- 370.09219 200.3
[M+Na-2H]- 332.05301 167.3
[M]+ 311.07779 167.1
[M]- 311.07889 167.1
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

patents stripe