CID 3052030

Vufb-10587

Structural Information

Molecular Formula
C21H24F2N2
SMILES
CN1CCN(CC1)C2CCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H24F2N2/c1-24-10-12-25(13-11-24)21-9-8-18(15-2-4-16(22)5-3-15)19-7-6-17(23)14-20(19)21/h2-7,14,18,21H,8-13H2,1H3
InChIKey
CCLCNKBKEJUGFP-UHFFFAOYSA-N
Compound name
1-[7-fluoro-4-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.19077 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19805 185.7
[M+Na]+ 365.17999 191.4
[M-H]- 341.18349 189.4
[M+NH4]+ 360.22459 196.8
[M+K]+ 381.15393 183.8
[M+H-H2O]+ 325.18803 172.2
[M+HCOO]- 387.18897 196.3
[M+CH3COO]- 401.20462 193.2
[M+Na-2H]- 363.16544 184.8
[M]+ 342.19022 176.5
[M]- 342.19132 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.