CID 2992732

3-methyl-7-(2-methyl-2-propenyl)-8-{[3-(4-morpholinyl)propyl]amino}-3,7-dihydro-1h-purine-2,6-dione

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 190.2
[M+Na]+ 385.19585 198.3
[M-H]- 361.19935 190.8
[M+NH4]+ 380.24045 196.7
[M+K]+ 401.16979 192.8
[M+H-H2O]+ 345.20389 179.5
[M+HCOO]- 407.20483 203.0
[M+CH3COO]- 421.22048 217.2
[M+Na-2H]- 383.18130 190.3
[M]+ 362.20608 191.1
[M]- 362.20718 191.1
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.