CID 5850011

7-(2-hydroxyethyl)-8-{(2e)-2-[1-(4-methoxyphenyl)ethylidene]hydrazino}-3-methyl-3,7-dihydro-1h-purine-2,6-dione

Structural Information

Molecular Formula
C17H20N6O4
SMILES
C/C(=N\NC1=NC2=C(N1CCO)C(=O)NC(=O)N2C)/C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H20N6O4/c1-10(11-4-6-12(27-3)7-5-11)20-21-16-18-14-13(23(16)8-9-24)15(25)19-17(26)22(14)2/h4-7,24H,8-9H2,1-3H3,(H,18,21)(H,19,25,26)/b20-10+
InChIKey
VUXYJKIJOPHVTJ-KEBDBYFISA-N
Compound name
7-(2-hydroxyethyl)-8-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-3-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1546 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16188 186.5
[M+Na]+ 395.14382 198.6
[M+NH4]+ 390.18842 189.6
[M+K]+ 411.11776 196.0
[M-H]- 371.14732 187.2
[M+Na-2H]- 393.12927 190.8
[M]+ 372.15405 187.9
[M]- 372.15515 187.9
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.