PubChemLite - 1-(6-bromo-2-methoxy-3-quinolyl)-5-(dimethylamino)-2-(2-naphthyl)-1-phenyl-pentan-2-ol (C33H33BrN2O2)

Structural Information

Molecular Formula

SMILES

CN(C)CCCC(C1=CC2=CC=CC=C2C=C1)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O

InChI

InChI=1S/C33H33BrN2O2/c1-36(2)19-9-18-33(37,27-15-14-23-10-7-8-13-25(23)20-27)31(24-11-5-4-6-12-24)29-22-26-21-28(34)16-17-30(26)35-32(29)38-3/h4-8,10-17,20-22,31,37H,9,18-19H2,1-3H3

InChIKey

XEUHQPZJRHLJNM-UHFFFAOYSA-N

Compound name

1-(6-bromo-2-methoxyquinolin-3-yl)-5-(dimethylamino)-2-naphthalen-2-yl-1-phenylpentan-2-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	569.17983	239.0
[M+Na]+	591.16177	244.7
[M-H]-	567.16527	249.2
[M+NH4]+	586.20637	246.0
[M+K]+	607.13571	232.4
[M+H-H2O]+	551.16981	232.9
[M+HCOO]-	613.17075	251.7
[M+CH3COO]-	627.18640	245.8
[M+Na-2H]-	589.14722	242.2
[M]+	568.17200	259.6
[M]-	568.17310	259.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.17983

239.0

[M+Na]+

591.16177

244.7

[M-H]-

567.16527

249.2

[M+NH4]+

586.20637

246.0

[M+K]+

607.13571

232.4

[M+H-H2O]+

551.16981

232.9

[M+HCOO]-

613.17075

251.7

[M+CH3COO]-

627.18640

245.8

[M+Na-2H]-

589.14722

242.2

[M]+

568.17200

259.6

[M]-

568.17310

259.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-(6-bromo-2-methoxy-3-quinolyl)-5-(dimethylamino)-2-(2-naphthyl)-1-phenyl-pentan-2-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe