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]+ 405.213676 202.8
[M+Na]+ 427.195618 207.4
[M-H]- 403.199124 208.8
[M+NH4]+ 422.240223 210.3
[M+K]+ 443.169558 198.0
[M+H-H2O]+ 387.203660 187.0
[M+HCOO]- 449.204601 212.6
[M+CH3COO]- 463.220251 208.7
[M+Na-2H]- 425.181066 201.3
[M]+ 404.20585142 192.4
[M]- 404.20694858 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.