CID 3057436

74038-87-2

Structural Information

Molecular Formula
C16H24N6O2
SMILES
CC(C)N1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)CCN(C)C
InChI
InChI=1S/C16H24N6O2/c1-10(2)22-11(7-8-18(3)4)9-21-12-13(17-15(21)22)19(5)16(24)20(6)14(12)23/h9-10H,7-8H2,1-6H3
InChIKey
VMJUVTJHZJFABH-UHFFFAOYSA-N
Compound name
7-[2-(dimethylamino)ethyl]-2,4-dimethyl-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.19608 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20336 179.1
[M+Na]+ 355.18530 192.3
[M+NH4]+ 350.22990 183.9
[M+K]+ 371.15924 191.3
[M-H]- 331.18880 178.5
[M+Na-2H]- 353.17075 181.4
[M]+ 332.19553 180.6
[M]- 332.19663 180.6
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.