PubChemLite - 1-(6-bromo-2-methoxy-3-quinolyl)-4-(dimethylamino)-2-(1-naphthyl)-1-(p-tolyl)butan-2-ol (C33H33BrN2O2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)C(C2=C(N=C3C=CC(=CC3=C2)Br)OC)C(CCN(C)C)(C4=CC=CC5=CC=CC=C54)O

InChI

InChI=1S/C33H33BrN2O2/c1-22-12-14-24(15-13-22)31(28-21-25-20-26(34)16-17-30(25)35-32(28)38-4)33(37,18-19-36(2)3)29-11-7-9-23-8-5-6-10-27(23)29/h5-17,20-21,31,37H,18-19H2,1-4H3

InChIKey

CFPPFXNAPDMERR-UHFFFAOYSA-N

Compound name

1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-1-(4-methylphenyl)-2-naphthalen-1-ylbutan-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	239.7
[M+Na]+	591.16177	246.2
[M-H]-	567.16527	250.4
[M+NH4]+	586.20637	247.0
[M+K]+	607.13571	234.0
[M+H-H2O]+	551.16981	233.7
[M+HCOO]-	613.17075	252.4
[M+CH3COO]-	627.18640	246.9
[M+Na-2H]-	589.14722	242.2
[M]+	568.17200	260.7
[M]-	568.17310	260.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.17983

239.7

[M+Na]+

591.16177

246.2

[M-H]-

567.16527

250.4

[M+NH4]+

586.20637

247.0

[M+K]+

607.13571

234.0

[M+H-H2O]+

551.16981

233.7

[M+HCOO]-

613.17075

252.4

[M+CH3COO]-

627.18640

246.9

[M+Na-2H]-

589.14722

242.2

[M]+

568.17200

260.7

[M]-

568.17310

260.7

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)-4-(dimethylamino)-2-(1-naphthyl)-1-(p-tolyl)butan-2-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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