CID 135615000

682776-52-9

Structural Information

Molecular Formula
C17H20N6O4
SMILES
CC(C)CN1C2=C(N=C1N/N=C/C3=C(C=C(C=C3)O)O)N(C(=O)NC2=O)C
InChI
InChI=1S/C17H20N6O4/c1-9(2)8-23-13-14(22(3)17(27)20-15(13)26)19-16(23)21-18-7-10-4-5-11(24)6-12(10)25/h4-7,9,24-25H,8H2,1-3H3,(H,19,21)(H,20,26,27)/b18-7+
InChIKey
YXQXYJOVYWARRL-CNHKJKLMSA-N
Compound name
8-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1546 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16188 187.7
[M+Na]+ 395.14382 199.6
[M+NH4]+ 390.18842 190.4
[M+K]+ 411.11776 197.5
[M-H]- 371.14732 188.0
[M+Na-2H]- 393.12927 191.0
[M]+ 372.15405 189.0
[M]- 372.15515 189.0
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.