CID 135587988

892159-26-1

Structural Information

Molecular Formula
C18H20N6O3
SMILES
CC(=C)CN1C2=C(N=C1N/N=C/C3=CC=CC=C3O)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C18H20N6O3/c1-11(2)10-24-14-15(22(3)18(27)23(4)16(14)26)20-17(24)21-19-9-12-7-5-6-8-13(12)25/h5-9,25H,1,10H2,2-4H3,(H,20,21)/b19-9+
InChIKey
VCWLSNGOCIKZEP-DJKKODMXSA-N
Compound name
8-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1597 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16698 187.4
[M+Na]+ 391.14892 200.7
[M+NH4]+ 386.19352 190.9
[M+K]+ 407.12286 197.1
[M-H]- 367.15242 188.8
[M+Na-2H]- 389.13437 192.0
[M]+ 368.15915 189.3
[M]- 368.16025 189.3
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.