CID 385937

Nsc677400

Structural Information

Molecular Formula
C23H27N3O3
SMILES
CN1CCN(CC1)C(=O)CCNC(=O)CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H27N3O3/c1-25-13-15-26(16-14-25)22(28)11-12-24-21(27)17-18-7-9-20(10-8-18)23(29)19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,24,27)
InChIKey
JJMWAIJCWSCPGM-UHFFFAOYSA-N
Compound name
2-(4-benzoylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.20523 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 196.3
[M+Na]+ 416.19445 197.7
[M-H]- 392.19795 201.5
[M+NH4]+ 411.23905 203.1
[M+K]+ 432.16839 193.0
[M+H-H2O]+ 376.20249 184.6
[M+HCOO]- 438.20343 211.1
[M+CH3COO]- 452.21908 223.7
[M+Na-2H]- 414.17990 195.1
[M]+ 393.20468 192.7
[M]- 393.20578 192.7
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.