CID 5280305

Piperazine, 4-benzoyl-1-(6-methoxy-2-naphthalenylacetyl)-

Structural Information

Molecular Formula
C24H24N2O3
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H24N2O3/c1-29-22-10-9-20-15-18(7-8-21(20)17-22)16-23(27)25-11-13-26(14-12-25)24(28)19-5-3-2-4-6-19/h2-10,15,17H,11-14,16H2,1H3
InChIKey
PKVARKAPRAPNHI-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.17868 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18596 195.2
[M+Na]+ 411.16790 199.1
[M-H]- 387.17140 201.5
[M+NH4]+ 406.21250 203.5
[M+K]+ 427.14184 193.6
[M+H-H2O]+ 371.17594 183.0
[M+HCOO]- 433.17688 208.7
[M+CH3COO]- 447.19253 202.6
[M+Na-2H]- 409.15335 196.0
[M]+ 388.17813 192.6
[M]- 388.17923 192.6
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.