CID 199810

5047-75-6

Structural Information

Molecular Formula
C18H31N5O3
SMILES
CCCCN(CCCC)CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O
InChI
InChI=1S/C18H31N5O3/c1-5-7-9-22(10-8-6-2)11-14(24)12-23-13-19-16-15(23)17(25)21(4)18(26)20(16)3/h13-14,24H,5-12H2,1-4H3
InChIKey
ZDVAMNZVNAKAFM-UHFFFAOYSA-N
Compound name
7-[3-(dibutylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.24268 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.24996 190.4
[M+Na]+ 388.23190 199.4
[M-H]- 364.23540 190.4
[M+NH4]+ 383.27650 201.0
[M+K]+ 404.20584 195.4
[M+H-H2O]+ 348.23994 181.0
[M+HCOO]- 410.24088 208.5
[M+CH3COO]- 424.25653 223.5
[M+Na-2H]- 386.21735 190.0
[M]+ 365.24213 199.3
[M]- 365.24323 199.3
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.