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]+ 362.22991 196.7
[M+Na]+ 384.21185 207.0
[M-H]- 360.21535 196.1
[M+NH4]+ 379.25645 203.9
[M+K]+ 400.18579 199.7
[M+H-H2O]+ 344.21989 184.4
[M+HCOO]- 406.22083 205.0
[M+CH3COO]- 420.23648 203.8
[M+Na-2H]- 382.19730 195.2
[M]+ 361.22208 196.7
[M]- 361.22318 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.