CID 363687

119256-85-8

Structural Information

Molecular Formula
C13H21N5O4
SMILES
CCC(CO)NC1=NC2=C(N1CCO)C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C13H21N5O4/c1-4-8(7-20)14-12-15-10-9(18(12)5-6-19)11(21)17(3)13(22)16(10)2/h8,19-20H,4-7H2,1-3H3,(H,14,15)
InChIKey
GPEWINMGNPPOCM-UHFFFAOYSA-N
Compound name
8-(1-hydroxybutan-2-ylamino)-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15936 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.16664 172.3
[M+Na]+ 334.14858 183.6
[M-H]- 310.15208 170.8
[M+NH4]+ 329.19318 183.9
[M+K]+ 350.12252 179.2
[M+H-H2O]+ 294.15662 164.3
[M+HCOO]- 356.15756 190.2
[M+CH3COO]- 370.17321 207.1
[M+Na-2H]- 332.13403 173.9
[M]+ 311.15881 178.2
[M]- 311.15991 178.2
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.