CID 3052032

1-piperazineethanol, 4-(7-fluoro-4-(4-fluorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl)-, (z)-2-butenedioate (1:2)

Structural Information

Molecular Formula
C22H26F2N2O
SMILES
C1CC(C2=C(C1C3=CC=C(C=C3)F)C=CC(=C2)F)N4CCN(CC4)CCO
InChI
InChI=1S/C22H26F2N2O/c23-17-3-1-16(2-4-17)19-7-8-22(21-15-18(24)5-6-20(19)21)26-11-9-25(10-12-26)13-14-27/h1-6,15,19,22,27H,7-14H2
InChIKey
RTZUVUZIGHAAAJ-UHFFFAOYSA-N
Compound name
2-[4-[7-fluoro-4-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.20132 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20860 193.1
[M+Na]+ 395.19054 197.8
[M-H]- 371.19404 195.3
[M+NH4]+ 390.23514 202.1
[M+K]+ 411.16448 189.8
[M+H-H2O]+ 355.19858 179.7
[M+HCOO]- 417.19952 202.0
[M+CH3COO]- 431.21517 199.4
[M+Na-2H]- 393.17599 191.5
[M]+ 372.20077 184.0
[M]- 372.20187 184.0
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.