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 188.3
[M+Na]+ 395.14382 199.1
[M-H]- 371.14732 190.6
[M+NH4]+ 390.18842 196.7
[M+K]+ 411.11776 192.9
[M+H-H2O]+ 355.15186 178.8
[M+HCOO]- 417.15280 207.3
[M+CH3COO]- 431.16845 220.6
[M+Na-2H]- 393.12927 190.4
[M]+ 372.15405 192.0
[M]- 372.15515 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.