CID 3729775

476481-39-7

Structural Information

Molecular Formula
C14H19N7O3
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CCO
InChI
InChI=1S/C14H19N7O3/c1-19-11-10(12(23)18-14(19)24)21(7-8-22)13(17-11)16-3-2-5-20-6-4-15-9-20/h4,6,9,22H,2-3,5,7-8H2,1H3,(H,16,17)(H,18,23,24)
InChIKey
IMZLJFTYMAIIEX-UHFFFAOYSA-N
Compound name
7-(2-hydroxyethyl)-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.15494 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16222 176.7
[M+Na]+ 356.14416 188.0
[M+NH4]+ 351.18876 179.4
[M+K]+ 372.11810 187.7
[M-H]- 332.14766 175.0
[M+Na-2H]- 354.12961 179.8
[M]+ 333.15439 177.2
[M]- 333.15549 177.2
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.