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]+ 417.188096 197.8
[M+Na]+ 439.170038 206.5
[M-H]- 415.173544 201.8
[M+NH4]+ 434.214643 202.3
[M+K]+ 455.143978 202.6
[M+H-H2O]+ 399.178080 187.3
[M+HCOO]- 461.179021 208.9
[M+CH3COO]- 475.194671 205.6
[M+Na-2H]- 437.155486 193.6
[M]+ 416.18027142 201.2
[M]- 416.18136858 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