CID 49767137

1-(2,6-dimethoxy-3-quinolyl)-4-(dimethylamino)-2-(3-fluorophenyl)-1-phenyl-butan-2-ol

Structural Information

Molecular Formula
C29H31FN2O3
SMILES
CN(C)CCC(C1=CC(=CC=C1)F)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)OC)OC)O
InChI
InChI=1S/C29H31FN2O3/c1-32(2)16-15-29(33,22-11-8-12-23(30)19-22)27(20-9-6-5-7-10-20)25-18-21-17-24(34-3)13-14-26(21)31-28(25)35-4/h5-14,17-19,27,33H,15-16H2,1-4H3
InChIKey
MGNPZHATPCCHOI-UHFFFAOYSA-N
Compound name
1-(2,6-dimethoxyquinolin-3-yl)-4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.23187 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.23915 219.5
[M+Na]+ 497.22109 223.7
[M-H]- 473.22459 226.4
[M+NH4]+ 492.26569 225.7
[M+K]+ 513.19503 218.7
[M+H-H2O]+ 457.22913 206.5
[M+HCOO]- 519.23007 234.6
[M+CH3COO]- 533.24572 243.1
[M+Na-2H]- 495.20654 220.8
[M]+ 474.23132 222.0
[M]- 474.23242 222.0
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.