CID 3057438

74038-88-3

Structural Information

Molecular Formula
C19H28N6O2
SMILES
CC(C)N1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)CCN4CCCCC4
InChI
InChI=1S/C19H28N6O2/c1-13(2)25-14(8-11-23-9-6-5-7-10-23)12-24-15-16(20-18(24)25)21(3)19(27)22(4)17(15)26/h12-13H,5-11H2,1-4H3
InChIKey
WRBWRCOHSLAFMK-UHFFFAOYSA-N
Compound name
2,4-dimethyl-7-(2-piperidin-1-ylethyl)-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

372.2274 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.234676 194.7
[M+Na]+ 395.216618 206.4
[M-H]- 371.220124 197.1
[M+NH4]+ 390.261223 205.1
[M+K]+ 411.190558 199.9
[M+H-H2O]+ 355.224660 184.3
[M+HCOO]- 417.225601 208.2
[M+CH3COO]- 431.241251 203.8
[M+Na-2H]- 393.202066 191.6
[M]+ 372.22685142 199.6
[M]- 372.22794858 199.6
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.