CID 3070239

Sgd 12377

Structural Information

Molecular Formula
C19H24N6O5
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)C(=O)C4=CC=CO4)O
InChI
InChI=1S/C19H24N6O5/c1-21-16-15(18(28)22(2)19(21)29)25(12-20-16)11-13(26)10-23-5-7-24(8-6-23)17(27)14-4-3-9-30-14/h3-4,9,12-13,26H,5-8,10-11H2,1-2H3
InChIKey
RZWAFHYWZSGUHR-UHFFFAOYSA-N
Compound name
7-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

416.18082 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.18810 197.8
[M+Na]+ 439.17004 206.5
[M-H]- 415.17354 201.8
[M+NH4]+ 434.21464 202.3
[M+K]+ 455.14398 202.6
[M+H-H2O]+ 399.17808 187.3
[M+HCOO]- 461.17902 208.9
[M+CH3COO]- 475.19467 205.6
[M+Na-2H]- 437.15549 193.6
[M]+ 416.18027 201.2
[M]- 416.18137 201.2
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