CID 15958926

Chembl5591873

Structural Information

Molecular Formula
C23H23N5O5
SMILES
CNC(=O)C1=NC=C(C2=C1NC=C2C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)OC
InChI
InChI=1S/C23H23N5O5/c1-24-21(30)19-18-17(16(33-2)13-26-19)15(12-25-18)20(29)23(32)28-10-8-27(9-11-28)22(31)14-6-4-3-5-7-14/h3-7,12-13,25H,8-11H2,1-2H3,(H,24,30)
InChIKey
POQVIOXNOZYWND-UHFFFAOYSA-N
Compound name
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.16992 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.17720 203.6
[M+Na]+ 472.15914 207.6
[M-H]- 448.16264 207.8
[M+NH4]+ 467.20374 207.6
[M+K]+ 488.13308 203.2
[M+H-H2O]+ 432.16718 192.3
[M+HCOO]- 494.16812 215.5
[M+CH3COO]- 508.18377 231.2
[M+Na-2H]- 470.14459 201.7
[M]+ 449.16937 202.5
[M]- 449.17047 202.5
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.