CID 776814

8-hydrazinyl-3-methyl-7-(2-methylprop-2-en-1-yl)-2,3,6,7-tetrahydro-1h-purine-2,6-dione

Structural Information

Molecular Formula
C10H14N6O2
SMILES
CC(=C)CN1C2=C(N=C1NN)N(C(=O)NC2=O)C
InChI
InChI=1S/C10H14N6O2/c1-5(2)4-16-6-7(12-9(16)14-11)15(3)10(18)13-8(6)17/h1,4,11H2,2-3H3,(H,12,14)(H,13,17,18)
InChIKey
PKMQWHQHBLMYHB-UHFFFAOYSA-N
Compound name
8-hydrazinyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11783 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12511 154.7
[M+Na]+ 273.10705 165.5
[M+NH4]+ 268.15165 158.7
[M+K]+ 289.08099 164.0
[M-H]- 249.11055 153.3
[M+Na-2H]- 271.09250 157.2
[M]+ 250.11728 155.3
[M]- 250.11838 155.3
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.