CID 3040270

51920-68-4

Structural Information

Molecular Formula
C23H23N7O5
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4
InChI
InChI=1S/C23H23N7O5/c1-27(20(31)15-6-4-8-24-10-15)12-17(35-22(33)16-7-5-9-25-11-16)13-30-14-26-19-18(30)21(32)29(3)23(34)28(19)2/h4-11,14,17H,12-13H2,1-3H3
InChIKey
JWOAHBGIMRMGOY-UHFFFAOYSA-N
Compound name
[1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-[methyl(pyridine-3-carbonyl)amino]propan-2-yl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.17606 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.18334 205.9
[M+Na]+ 500.16528 219.5
[M+NH4]+ 495.20988 207.5
[M+K]+ 516.13922 217.9
[M-H]- 476.16878 207.2
[M+Na-2H]- 498.15073 212.6
[M]+ 477.17551 207.8
[M]- 477.17661 207.8
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.