CID 218148

1-(1h-indol-3-yl)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-one

Structural Information

Molecular Formula
C22H25N3O
SMILES
CN1CCN(CC1)CC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C22H25N3O/c1-24-11-13-25(14-12-24)16-20(17-7-3-2-4-8-17)22(26)19-15-23-21-10-6-5-9-18(19)21/h2-10,15,20,23H,11-14,16H2,1H3
InChIKey
NEYWCGJURRTMTC-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.19977 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.207046 185.0
[M+Na]+ 370.188988 189.3
[M-H]- 346.192494 189.2
[M+NH4]+ 365.233593 195.0
[M+K]+ 386.162928 182.3
[M+H-H2O]+ 330.197030 173.7
[M+HCOO]- 392.197971 198.3
[M+CH3COO]- 406.213621 192.7
[M+Na-2H]- 368.174436 185.0
[M]+ 347.19922142 180.6
[M]- 347.20031858 180.6
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.