CID 3073438

148711-95-9

Structural Information

Molecular Formula
C19H31N7O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N3CCCN(C3=N2)CCCN4CCN(CC4)CCO
InChI
InChI=1S/C19H31N7O3/c1-21-16-15(17(28)22(2)19(21)29)26-8-4-7-25(18(26)20-16)6-3-5-23-9-11-24(12-10-23)13-14-27/h27H,3-14H2,1-2H3
InChIKey
UPJWDCBXUBOXFR-UHFFFAOYSA-N
Compound name
9-[3-[4-(2-hydroxyethyl)piperazin-1-yl]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

405.24884 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.25612 207.0
[M+Na]+ 428.23806 215.7
[M-H]- 404.24156 204.9
[M+NH4]+ 423.28266 211.6
[M+K]+ 444.21200 208.1
[M+H-H2O]+ 388.24610 194.8
[M+HCOO]- 450.24704 213.4
[M+CH3COO]- 464.26269 212.5
[M+Na-2H]- 426.22351 204.6
[M]+ 405.24829 207.3
[M]- 405.24939 207.3
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.