CID 5280298

Akos033984773

Structural Information

Molecular Formula
C23H22N2O2
SMILES
C1CN(CCN1C(=O)CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H22N2O2/c26-22(17-20-11-6-10-18-7-4-5-12-21(18)20)24-13-15-25(16-14-24)23(27)19-8-2-1-3-9-19/h1-12H,13-17H2
InChIKey
ANPQXCKNRVOPNW-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-naphthalen-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.16812 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17540 187.5
[M+Na]+ 381.15734 191.1
[M-H]- 357.16084 193.6
[M+NH4]+ 376.20194 196.8
[M+K]+ 397.13128 185.0
[M+H-H2O]+ 341.16538 175.5
[M+HCOO]- 403.16632 201.2
[M+CH3COO]- 417.18197 195.2
[M+Na-2H]- 379.14279 189.4
[M]+ 358.16757 182.7
[M]- 358.16867 182.7
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.