CID 3073444

148711-98-2

Structural Information

Molecular Formula
C18H26N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N3CCC(=O)N(C3=N2)CCCN4CCCCC4
InChI
InChI=1S/C18H26N6O3/c1-20-15-14(16(26)21(2)18(20)27)24-12-7-13(25)23(17(24)19-15)11-6-10-22-8-4-3-5-9-22/h3-12H2,1-2H3
InChIKey
UPYCSGHSEMOXGT-UHFFFAOYSA-N
Compound name
1,3-dimethyl-9-(3-piperidin-1-ylpropyl)-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.20663 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.21391 196.3
[M+Na]+ 397.19585 206.1
[M-H]- 373.19935 196.9
[M+NH4]+ 392.24045 204.1
[M+K]+ 413.16979 199.2
[M+H-H2O]+ 357.20389 184.4
[M+HCOO]- 419.20483 206.0
[M+CH3COO]- 433.22048 203.7
[M+Na-2H]- 395.18130 194.9
[M]+ 374.20608 196.8
[M]- 374.20718 196.8
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.