CID 28347

Brn 0715641

Structural Information

Molecular Formula
C24H31FN2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCCCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C24H31FN2O2/c1-29-24-10-6-5-8-22(24)27-18-16-26(17-19-27)15-7-3-2-4-9-23(28)20-11-13-21(25)14-12-20/h5-6,8,10-14H,2-4,7,9,15-19H2,1H3
InChIKey
LYDVNNFYKGNCDH-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.23697 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.24425 200.7
[M+Na]+ 421.22619 203.5
[M-H]- 397.22969 204.2
[M+NH4]+ 416.27079 208.0
[M+K]+ 437.20013 197.4
[M+H-H2O]+ 381.23423 187.6
[M+HCOO]- 443.23517 214.2
[M+CH3COO]- 457.25082 224.1
[M+Na-2H]- 419.21164 198.7
[M]+ 398.23642 198.6
[M]- 398.23752 198.6
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.