CID 3052034

Vufb-10589

Structural Information

Molecular Formula
C26H26F2N2
SMILES
C1CC(C2=C(C1C3=CC=C(C=C3)F)C=CC(=C2)F)N4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C26H26F2N2/c27-20-8-6-19(7-9-20)23-12-13-26(25-18-21(28)10-11-24(23)25)30-16-14-29(15-17-30)22-4-2-1-3-5-22/h1-11,18,23,26H,12-17H2
InChIKey
MUTRIFBAZUOQET-UHFFFAOYSA-N
Compound name
1-[7-fluoro-4-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.2064 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.21368 202.8
[M+Na]+ 427.19562 207.4
[M-H]- 403.19912 208.8
[M+NH4]+ 422.24022 210.3
[M+K]+ 443.16956 198.0
[M+H-H2O]+ 387.20366 187.0
[M+HCOO]- 449.20460 212.6
[M+CH3COO]- 463.22025 208.7
[M+Na-2H]- 425.18107 201.3
[M]+ 404.20585 192.4
[M]- 404.20695 192.4
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.