CID 2992732

476482-35-6

Structural Information

Molecular Formula
C17H26N6O3
SMILES
CC(=C)CN1C2=C(N=C1NCCCN3CCOCC3)N(C(=O)NC2=O)C
InChI
InChI=1S/C17H26N6O3/c1-12(2)11-23-13-14(21(3)17(25)20-15(13)24)19-16(23)18-5-4-6-22-7-9-26-10-8-22/h1,4-11H2,2-3H3,(H,18,19)(H,20,24,25)
InChIKey
KNWBEESADOMNOI-UHFFFAOYSA-N
Compound name
3-methyl-7-(2-methylprop-2-enyl)-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.20663 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21391 187.5
[M+Na]+ 385.19585 198.4
[M+NH4]+ 380.24045 190.4
[M+K]+ 401.16979 195.8
[M-H]- 361.19935 188.0
[M+Na-2H]- 383.18130 188.9
[M]+ 362.20608 188.6
[M]- 362.20718 188.6
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.