CID 206645

Mdv 2

Structural Information

Molecular Formula
C16H19N5O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CN=CC=C3)CC(CO)O
InChI
InChI=1S/C16H19N5O4/c1-19-14-13(15(24)20(2)16(19)25)21(8-11(23)9-22)12(18-14)6-10-4-3-5-17-7-10/h3-5,7,11,22-23H,6,8-9H2,1-2H3
InChIKey
AGBXEAQAOHJACV-UHFFFAOYSA-N
Compound name
7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(pyridin-3-ylmethyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1437 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15098 181.5
[M+Na]+ 368.13292 195.5
[M+NH4]+ 363.17752 184.9
[M+K]+ 384.10686 192.9
[M-H]- 344.13642 180.6
[M+Na-2H]- 366.11837 185.5
[M]+ 345.14315 183.0
[M]- 345.14425 183.0
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.