CID 507967

Schembl6443610

Structural Information

Molecular Formula
C24H24N4O5
SMILES
CNC(=O)C1=C2C(=C(C=C1)OC)C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H24N4O5/c1-25-22(30)16-8-9-18(33-2)19-17(14-26-20(16)19)21(29)24(32)28-12-10-27(11-13-28)23(31)15-6-4-3-5-7-15/h3-9,14,26H,10-13H2,1-2H3,(H,25,30)
InChIKey
KWOGGQAJEKZGQX-UHFFFAOYSA-N
Compound name
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

448.17468 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.18196 204.3
[M+Na]+ 471.16390 207.9
[M-H]- 447.16740 209.6
[M+NH4]+ 466.20850 209.7
[M+K]+ 487.13784 203.6
[M+H-H2O]+ 431.17194 193.5
[M+HCOO]- 493.17288 217.2
[M+CH3COO]- 507.18853 231.3
[M+Na-2H]- 469.14935 201.7
[M]+ 448.17413 203.1
[M]- 448.17523 203.1
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.