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 160.3
[M+Na]+ 289.12710 173.2
[M-H]- 265.13060 159.7
[M+NH4]+ 284.17170 174.8
[M+K]+ 305.10104 168.5
[M+H-H2O]+ 249.13514 152.2
[M+HCOO]- 311.13608 179.9
[M+CH3COO]- 325.15173 196.7
[M+Na-2H]- 287.11255 164.0
[M]+ 266.13733 167.2
[M]- 266.13843 167.2
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.