CID 129318724

1-(3-hydroxypropyl)-3-methyl-7-propyl-3,7-dihydro-1h-purine-2,6-dione

Structural Information

Molecular Formula
C12H18N4O3
SMILES
CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCO
InChI
InChI=1S/C12H18N4O3/c1-3-5-15-8-13-10-9(15)11(18)16(6-4-7-17)12(19)14(10)2/h8,17H,3-7H2,1-2H3
InChIKey
FSJMWIBXGCDLPP-UHFFFAOYSA-N
Compound name
1-(3-hydroxypropyl)-3-methyl-7-propylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.13788 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14516 161.4
[M+Na]+ 289.12710 174.5
[M+NH4]+ 284.17170 166.0
[M+K]+ 305.10104 171.0
[M-H]- 265.13060 159.4
[M+Na-2H]- 287.11255 164.2
[M]+ 266.13733 162.4
[M]- 266.13843 162.4
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.