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]+ 373.23468 194.7
[M+Na]+ 395.21662 206.4
[M-H]- 371.22012 197.1
[M+NH4]+ 390.26122 205.1
[M+K]+ 411.19056 199.9
[M+H-H2O]+ 355.22466 184.3
[M+HCOO]- 417.22560 208.2
[M+CH3COO]- 431.24125 203.8
[M+Na-2H]- 393.20207 191.6
[M]+ 372.22685 199.6
[M]- 372.22795 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.