CID 3073436

148711-94-8

Structural Information

Molecular Formula
C18H29N7O2
SMILES
CN1CCN(CC1)CCCN2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)C
InChI
InChI=1S/C18H29N7O2/c1-20-10-12-23(13-11-20)6-4-7-24-8-5-9-25-14-15(19-17(24)25)21(2)18(27)22(3)16(14)26/h4-13H2,1-3H3
InChIKey
HLMIYQHCHCFBBJ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-9-[3-(4-methylpiperazin-1-yl)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

375.23828 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.24556 200.8
[M+Na]+ 398.22750 210.6
[M-H]- 374.23100 200.0
[M+NH4]+ 393.27210 207.4
[M+K]+ 414.20144 203.2
[M+H-H2O]+ 358.23554 188.3
[M+HCOO]- 420.23648 208.8
[M+CH3COO]- 434.25213 207.4
[M+Na-2H]- 396.21295 198.9
[M]+ 375.23773 201.1
[M]- 375.23883 201.1
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.