CID 199839

5096-25-3

Structural Information

Molecular Formula
C14H23N5O3
SMILES
CCN(CC)CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O
InChI
InChI=1S/C14H23N5O3/c1-5-18(6-2)7-10(20)8-19-9-15-12-11(19)13(21)17(4)14(22)16(12)3/h9-10,20H,5-8H2,1-4H3
InChIKey
MDBUFZGCCAQYOS-UHFFFAOYSA-N
Compound name
7-[3-(diethylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.18008 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18736 172.5
[M+Na]+ 332.16930 183.4
[M-H]- 308.17280 173.3
[M+NH4]+ 327.21390 185.4
[M+K]+ 348.14324 180.2
[M+H-H2O]+ 292.17734 163.9
[M+HCOO]- 354.17828 192.0
[M+CH3COO]- 368.19393 211.9
[M+Na-2H]- 330.15475 174.2
[M]+ 309.17953 180.1
[M]- 309.18063 180.1
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.