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]+ 373.161876 188.3
[M+Na]+ 395.143818 199.1
[M-H]- 371.147324 190.6
[M+NH4]+ 390.188423 196.7
[M+K]+ 411.117758 192.9
[M+H-H2O]+ 355.151860 178.8
[M+HCOO]- 417.152801 207.3
[M+CH3COO]- 431.168451 220.6
[M+Na-2H]- 393.129266 190.4
[M]+ 372.15405142 192.0
[M]- 372.15514858 192.0
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.