CID 5280310

Piperazine, 4-benzoyl-1-(difluoro-2-naphthalenylacetyl)-2-methyl-, (2r)-

Structural Information

Molecular Formula
C24H22F2N2O2
SMILES
C[C@@H]1CN(CCN1C(=O)C(C2=CC3=CC=CC=C3C=C2)(F)F)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H22F2N2O2/c1-17-16-27(22(29)19-8-3-2-4-9-19)13-14-28(17)23(30)24(25,26)21-12-11-18-7-5-6-10-20(18)15-21/h2-12,15,17H,13-14,16H2,1H3/t17-/m1/s1
InChIKey
OBLYYMNCBWDGOB-QGZVFWFLSA-N
Compound name
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2,2-difluoro-2-naphthalen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

408.16495 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.17223 199.2
[M+Na]+ 431.15417 203.9
[M-H]- 407.15767 203.0
[M+NH4]+ 426.19877 206.8
[M+K]+ 447.12811 197.2
[M+H-H2O]+ 391.16221 185.9
[M+HCOO]- 453.16315 208.8
[M+CH3COO]- 467.17880 224.0
[M+Na-2H]- 429.13962 199.5
[M]+ 408.16440 192.8
[M]- 408.16550 192.8
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

patents stripe