CID 3064811

Brn 5671896

Structural Information

Molecular Formula
C18H20N8O3
SMILES
CCN1C2=NC3=C(N2CC(=N1)C4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)NN
InChI
InChI=1S/C18H20N8O3/c1-3-26-17-20-15-14(16(28)25(10-13(27)21-19)18(29)23(15)2)24(17)9-12(22-26)11-7-5-4-6-8-11/h4-8H,3,9-10,19H2,1-2H3,(H,21,27)
InChIKey
ZWYLQQYOZMGPQU-UHFFFAOYSA-N
Compound name
2-(1-ethyl-9-methyl-6,8-dioxo-3-phenyl-4H-purino[8,7-c][1,2,4]triazin-7-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.16583 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17311 193.2
[M+Na]+ 419.15505 206.7
[M+NH4]+ 414.19965 196.4
[M+K]+ 435.12899 203.8
[M-H]- 395.15855 194.2
[M+Na-2H]- 417.14050 197.1
[M]+ 396.16528 195.0
[M]- 396.16638 195.0
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.