CID 3073434

Pyrimido(2,1-f)purine-2,4(1h,3h)-dione, 6,7,8,9-tetrahydro-1,3-dimethyl-9-(3-(dimethylamino)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H24N6O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N3CCCN(C3=N2)CCCN(C)C
InChI
InChI=1S/C15H24N6O2/c1-17(2)7-5-8-20-9-6-10-21-11-12(16-14(20)21)18(3)15(23)19(4)13(11)22/h5-10H2,1-4H3
InChIKey
KOBQYLJUPHCZAL-UHFFFAOYSA-N
Compound name
9-[3-(dimethylamino)propyl]-1,3-dimethyl-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

320.19608 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20336 179.2
[M+Na]+ 343.18530 190.6
[M-H]- 319.18880 180.3
[M+NH4]+ 338.22990 191.9
[M+K]+ 359.15924 186.1
[M+H-H2O]+ 303.19334 169.3
[M+HCOO]- 365.19428 195.9
[M+CH3COO]- 379.20993 216.8
[M+Na-2H]- 341.17075 181.5
[M]+ 320.19553 184.8
[M]- 320.19663 184.8
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.