CID 3071599

137881-83-5

Structural Information

Molecular Formula
C17H27N7O2
SMILES
CN1CCN(CC1)CCN2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)C
InChI
InChI=1S/C17H27N7O2/c1-19-7-9-22(10-8-19)11-12-23-5-4-6-24-13-14(18-16(23)24)20(2)17(26)21(3)15(13)25/h4-12H2,1-3H3
InChIKey
LIJHCLAXXOXAPM-UHFFFAOYSA-N
Compound name
1,3-dimethyl-9-[2-(4-methylpiperazin-1-yl)ethyl]-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

361.22263 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.229906 196.7
[M+Na]+ 384.211848 207.0
[M-H]- 360.215354 196.1
[M+NH4]+ 379.256453 203.9
[M+K]+ 400.185788 199.7
[M+H-H2O]+ 344.219890 184.4
[M+HCOO]- 406.220831 205.0
[M+CH3COO]- 420.236481 203.8
[M+Na-2H]- 382.197296 195.2
[M]+ 361.22208142 196.7
[M]- 361.22317858 196.7
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.