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]+ 373.16188 186.3
[M+Na]+ 395.14382 197.5
[M-H]- 371.14732 190.6
[M+NH4]+ 390.18842 195.9
[M+K]+ 411.11776 192.1
[M+H-H2O]+ 355.15186 175.6
[M+HCOO]- 417.15280 209.3
[M+CH3COO]- 431.16845 222.4
[M+Na-2H]- 393.12927 191.1
[M]+ 372.15405 193.7
[M]- 372.15515 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.