CID 3073432

148711-91-5

Structural Information

Molecular Formula
C14H22N6O2
SMILES
CNCCCN1CCCN2C1=NC3=C2C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C14H22N6O2/c1-15-6-4-7-19-8-5-9-20-10-11(16-13(19)20)17(2)14(22)18(3)12(10)21/h15H,4-9H2,1-3H3
InChIKey
XWNJVFLQHYRFCG-UHFFFAOYSA-N
Compound name
1,3-dimethyl-9-[3-(methylamino)propyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.18042 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18770 175.4
[M+Na]+ 329.16964 187.2
[M-H]- 305.17314 175.3
[M+NH4]+ 324.21424 188.1
[M+K]+ 345.14358 181.6
[M+H-H2O]+ 289.17768 165.8
[M+HCOO]- 351.17862 192.0
[M+CH3COO]- 365.19427 210.7
[M+Na-2H]- 327.15509 178.9
[M]+ 306.17987 179.5
[M]- 306.18097 179.5
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.