CID 42412

4-(3-(4-fluorobenzoyl)propyl)-1-(6-tetralyl)piperazine maleate

Structural Information

Molecular Formula
C24H29FN2O
SMILES
C1CCC2=C(C1)C=CC(=C2)N3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H29FN2O/c25-22-10-7-20(8-11-22)24(28)6-3-13-26-14-16-27(17-15-26)23-12-9-19-4-1-2-5-21(19)18-23/h7-12,18H,1-6,13-17H2
InChIKey
PWUPOEQIIPSYHR-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.22638 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.23366 195.8
[M+Na]+ 403.21560 197.9
[M-H]- 379.21910 199.5
[M+NH4]+ 398.26020 204.4
[M+K]+ 419.18954 190.8
[M+H-H2O]+ 363.22364 182.4
[M+HCOO]- 425.22458 205.8
[M+CH3COO]- 439.24023 201.7
[M+Na-2H]- 401.20105 194.6
[M]+ 380.22583 187.9
[M]- 380.22693 187.9
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.