CID 3070238

Sgd 269 76

Structural Information

Molecular Formula
C18H22N6O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C(=O)C4=CC=CO4
InChI
InChI=1S/C18H22N6O4/c1-20-15-14(17(26)21(2)18(20)27)24(12-19-15)10-7-22-5-8-23(9-6-22)16(25)13-4-3-11-28-13/h3-4,11-12H,5-10H2,1-2H3
InChIKey
ZMOQJWWUNMTKFC-UHFFFAOYSA-N
Compound name
7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

386.17026 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17754 189.6
[M+Na]+ 409.15948 202.7
[M+NH4]+ 404.20408 192.9
[M+K]+ 425.13342 202.4
[M-H]- 385.16298 191.4
[M+Na-2H]- 407.14493 193.0
[M]+ 386.16971 191.6
[M]- 386.17081 191.6
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

patents stripe