PubChemLite - 1-(6-bromo-2-methoxy-3-quinolyl)-5-(diethylamino)-2-(2-naphthyl)-1-phenyl-pentan-2-ol (C35H37BrN2O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)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/C35H37BrN2O2/c1-4-38(5-2)21-11-20-35(39,29-17-16-25-12-9-10-15-27(25)22-29)33(26-13-7-6-8-14-26)31-24-28-23-30(36)18-19-32(28)37-34(31)40-3/h6-10,12-19,22-24,33,39H,4-5,11,20-21H2,1-3H3

InChIKey

JZBPESLFUDCFCH-UHFFFAOYSA-N

Compound name

1-(6-bromo-2-methoxyquinolin-3-yl)-5-(diethylamino)-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]+	597.21114	247.6
[M+Na]+	619.19308	252.4
[M-H]-	595.19658	257.4
[M+NH4]+	614.23768	253.4
[M+K]+	635.16702	239.7
[M+H-H2O]+	579.20112	241.1
[M+HCOO]-	641.20206	259.6
[M+CH3COO]-	655.21771	253.5
[M+Na-2H]-	617.17853	249.8
[M]+	596.20331	268.6
[M]-	596.20441	268.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

597.21114

247.6

[M+Na]+

619.19308

252.4

[M-H]-

595.19658

257.4

[M+NH4]+

614.23768

253.4

[M+K]+

635.16702

239.7

[M+H-H2O]+

579.20112

241.1

[M+HCOO]-

641.20206

259.6

[M+CH3COO]-

655.21771

253.5

[M+Na-2H]-

617.17853

249.8

[M]+

596.20331

268.6

[M]-

596.20441

268.6

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-(diethylamino)-2-(2-naphthyl)-1-phenyl-pentan-2-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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