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 192.1
[M+Na]+ 409.15948 202.5
[M-H]- 385.16298 197.2
[M+NH4]+ 404.20408 198.7
[M+K]+ 425.13342 198.1
[M+H-H2O]+ 369.16752 181.2
[M+HCOO]- 431.16846 205.8
[M+CH3COO]- 445.18411 201.2
[M+Na-2H]- 407.14493 189.3
[M]+ 386.16971 196.1
[M]- 386.17081 196.1
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

patents stripe