CID 13591220

Cor 2841

Structural Information

Molecular Formula
C22H29FN2O2
SMILES
CC1=CC(=C(C=C1O)C(C)C)OCCN2CCN(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H29FN2O2/c1-16(2)20-15-21(26)17(3)14-22(20)27-13-12-24-8-10-25(11-9-24)19-6-4-18(23)5-7-19/h4-7,14-16,26H,8-13H2,1-3H3
InChIKey
URTWIFWHVVPNQC-UHFFFAOYSA-N
Compound name
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

372.2213 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.22858 193.7
[M+Na]+ 395.21052 198.6
[M-H]- 371.21402 197.1
[M+NH4]+ 390.25512 202.2
[M+K]+ 411.18446 192.8
[M+H-H2O]+ 355.21856 181.8
[M+HCOO]- 417.21950 206.2
[M+CH3COO]- 431.23515 219.1
[M+Na-2H]- 393.19597 190.9
[M]+ 372.22075 190.7
[M]- 372.22185 190.7
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.