CID 5850011

478253-58-6

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 186.7
[M+Na]+ 395.14382 197.1
[M-H]- 371.14732 189.9
[M+NH4]+ 390.18842 195.5
[M+K]+ 411.11776 191.6
[M+H-H2O]+ 355.15186 176.6
[M+HCOO]- 417.15280 207.3
[M+CH3COO]- 431.16845 221.2
[M+Na-2H]- 393.12927 190.1
[M]+ 372.15405 191.8
[M]- 372.15515 191.8
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.