CID 5280302

(2s)-1-(4-benzoyl-2-methyl-piperazin-1-yl)-2-hydroxy-2-(2-naphthyl)ethanone

Structural Information

Molecular Formula
C24H24N2O3
SMILES
CC1CN(CCN1C(=O)[C@H](C2=CC3=CC=CC=C3C=C2)O)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H24N2O3/c1-17-16-25(23(28)19-8-3-2-4-9-19)13-14-26(17)24(29)22(27)21-12-11-18-7-5-6-10-20(18)15-21/h2-12,15,17,22,27H,13-14,16H2,1H3/t17?,22-/m0/s1
InChIKey
ZKZORCLHDSGARK-UGNFMNBCSA-N
Compound name
(2S)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-hydroxy-2-naphthalen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.17868 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18596 194.2
[M+Na]+ 411.16790 197.4
[M-H]- 387.17140 199.3
[M+NH4]+ 406.21250 201.8
[M+K]+ 427.14184 191.8
[M+H-H2O]+ 371.17594 182.8
[M+HCOO]- 433.17688 205.3
[M+CH3COO]- 447.19253 200.9
[M+Na-2H]- 409.15335 193.7
[M]+ 388.17813 189.4
[M]- 388.17923 189.4
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.