CID 476078

Gs 8370

Structural Information

Molecular Formula
C11H17N6O4P
SMILES
C=CCNC1=C2C(=NC(=N1)N)N(C=N2)CCOCP(=O)(O)O
InChI
InChI=1S/C11H17N6O4P/c1-2-3-13-9-8-10(16-11(12)15-9)17(6-14-8)4-5-21-7-22(18,19)20/h2,6H,1,3-5,7H2,(H2,18,19,20)(H3,12,13,15,16)
InChIKey
PYZAHYOBFDEFSC-UHFFFAOYSA-N
Compound name
2-[2-amino-6-(prop-2-enylamino)purin-9-yl]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12
Patents

328.1049 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11218 174.0
[M+Na]+ 351.09412 181.5
[M-H]- 327.09762 170.0
[M+NH4]+ 346.13872 183.7
[M+K]+ 367.06806 178.0
[M+H-H2O]+ 311.10216 163.0
[M+HCOO]- 373.10310 197.1
[M+CH3COO]- 387.11875 208.4
[M+Na-2H]- 349.07957 177.1
[M]+ 328.10435 176.6
[M]- 328.10545 176.6
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.