CID 9593636

333769-42-9

Structural Information

Molecular Formula
C17H20N6O4
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)OC)CCOC
InChI
InChI=1S/C17H20N6O4/c1-22-14-13(15(24)20-17(22)25)23(8-9-26-2)16(19-14)21-18-10-11-4-6-12(27-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,19,21)(H,20,24,25)/b18-10+
InChIKey
PWKIPYFURCZVIR-VCHYOVAHSA-N
Compound name
7-(2-methoxyethyl)-8-[(2E)-2-[(4-methoxyphenyl)methylidene]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

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.161876 186.3
[M+Na]+ 395.143818 197.5
[M-H]- 371.147324 190.6
[M+NH4]+ 390.188423 195.9
[M+K]+ 411.117758 192.1
[M+H-H2O]+ 355.151860 175.6
[M+HCOO]- 417.152801 209.3
[M+CH3COO]- 431.168451 222.4
[M+Na-2H]- 393.129266 191.1
[M]+ 372.15405142 193.7
[M]- 372.15514858 193.7
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.