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

literature stripe

Patent stripe

patents stripe