CID 3006625

Hpmpmma

Structural Information

Molecular Formula
C10H16N5O5PS
SMILES
CC1=NC(=C2C(=N1)N(C(=S)N2)CC(CO)OCP(=O)(O)O)N
InChI
InChI=1S/C10H16N5O5PS/c1-5-12-8(11)7-9(13-5)15(10(22)14-7)2-6(3-16)20-4-21(17,18)19/h6,16H,2-4H2,1H3,(H,14,22)(H2,11,12,13)(H2,17,18,19)
InChIKey
PBCRPLFUYYAWAF-UHFFFAOYSA-N
Compound name
[1-(6-amino-2-methyl-8-sulfanylidene-7H-purin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.06097 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.06825 174.5
[M+Na]+ 372.05019 182.7
[M-H]- 348.05369 168.5
[M+NH4]+ 367.09479 183.2
[M+K]+ 388.02413 178.2
[M+H-H2O]+ 332.05823 165.7
[M+HCOO]- 394.05917 188.6
[M+CH3COO]- 408.07482 204.1
[M+Na-2H]- 370.03564 173.1
[M]+ 349.06042 177.1
[M]- 349.06152 177.1
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.