CID 507980

Schembl6443686

Structural Information

Molecular Formula
C23H22N4O5
SMILES
COC1=C2C(=CNC2=C(C=C1)C(=O)N)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H22N4O5/c1-32-17-8-7-15(21(24)29)19-18(17)16(13-25-19)20(28)23(31)27-11-9-26(10-12-27)22(30)14-5-3-2-4-6-14/h2-8,13,25H,9-12H2,1H3,(H2,24,29)
InChIKey
FYGWSVUBVYVMQJ-UHFFFAOYSA-N
Compound name
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

434.15903 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.16631 200.3
[M+Na]+ 457.14825 204.3
[M-H]- 433.15175 205.3
[M+NH4]+ 452.19285 206.0
[M+K]+ 473.12219 199.9
[M+H-H2O]+ 417.15629 189.7
[M+HCOO]- 479.15723 212.9
[M+CH3COO]- 493.17288 228.7
[M+Na-2H]- 455.13370 197.2
[M]+ 434.15848 197.9
[M]- 434.15958 197.9
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