CID 15958858

1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C24H22N6O5
SMILES
CC1=NN=C(O1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC
InChI
InChI=1S/C24H22N6O5/c1-14-27-28-22(35-14)20-19-18(17(34-2)13-26-20)16(12-25-19)21(31)24(33)30-10-8-29(9-11-30)23(32)15-6-4-3-5-7-15/h3-7,12-13,25H,8-11H2,1-2H3
InChIKey
UWTWVBNSIWNQBR-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.16516 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.17244 208.9
[M+Na]+ 497.15438 215.1
[M-H]- 473.15788 215.6
[M+NH4]+ 492.19898 209.9
[M+K]+ 513.12832 210.7
[M+H-H2O]+ 457.16242 196.9
[M+HCOO]- 519.16336 218.5
[M+CH3COO]- 533.17901 215.1
[M+Na-2H]- 495.13983 204.4
[M]+ 474.16461 210.2
[M]- 474.16571 210.2
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

No patent data available for this compound.