CID 162623707

Np10679

Structural Information

Molecular Formula
C23H26F3N3O3
SMILES
C1CC(=O)NC2=C1C=C(C=C2)OC[C@@H](CN3CCN(CC3)C4=CC=C(C=C4)C(F)(F)F)O
InChI
InChI=1S/C23H26F3N3O3/c24-23(25,26)17-2-4-18(5-3-17)29-11-9-28(10-12-29)14-19(30)15-32-20-6-7-21-16(13-20)1-8-22(31)27-21/h2-7,13,19,30H,1,8-12,14-15H2,(H,27,31)/t19-/m1/s1
InChIKey
QJKYLYXHWSCZQT-LJQANCHMSA-N
Compound name
6-[(2R)-2-hydroxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.19263 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.19991 209.1
[M+Na]+ 472.18185 212.0
[M-H]- 448.18535 207.1
[M+NH4]+ 467.22645 212.2
[M+K]+ 488.15579 204.4
[M+H-H2O]+ 432.18989 194.6
[M+HCOO]- 494.19083 211.6
[M+CH3COO]- 508.20648 226.6
[M+Na-2H]- 470.16730 207.2
[M]+ 449.19208 198.7
[M]- 449.19318 198.7
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.