CID 218148

40281-38-7

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]+ 348.20705 185.0
[M+Na]+ 370.18899 189.3
[M-H]- 346.19249 189.2
[M+NH4]+ 365.23359 195.0
[M+K]+ 386.16293 182.3
[M+H-H2O]+ 330.19703 173.7
[M+HCOO]- 392.19797 198.3
[M+CH3COO]- 406.21362 192.7
[M+Na-2H]- 368.17444 185.0
[M]+ 347.19922 180.6
[M]- 347.20032 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.