CID 49767219

3-quinolineethanol, .alpha.-[2-(dimethylamino)ethyl]-6-[5-(hydroxymethyl)-2-furanyl]-2-methoxy-.alpha.-1-naphthalenyl-.beta.-phenyl-

Structural Information

Molecular Formula
C37H36N2O4
SMILES
CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)C6=CC=C(O6)CO)OC)O
InChI
InChI=1S/C37H36N2O4/c1-39(2)21-20-37(41,32-15-9-13-25-10-7-8-14-30(25)32)35(26-11-5-4-6-12-26)31-23-28-22-27(34-19-17-29(24-40)43-34)16-18-33(28)38-36(31)42-3/h4-19,22-23,35,40-41H,20-21,24H2,1-3H3
InChIKey
ANJSADSHVPFDHJ-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1-[6-[5-(hydroxymethyl)furan-2-yl]-2-methoxyquinolin-3-yl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.2675 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.27478 242.7
[M+Na]+ 595.25672 246.2
[M-H]- 571.26022 254.5
[M+NH4]+ 590.30132 244.9
[M+K]+ 611.23066 241.6
[M+H-H2O]+ 555.26476 230.0
[M+HCOO]- 617.26570 256.3
[M+CH3COO]- 631.28135 247.9
[M+Na-2H]- 593.24217 243.2
[M]+ 572.26695 247.2
[M]- 572.26805 247.2
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.