PubChemLite - 1-(6-bromo-2-methoxy-3-quinolyl)-6-(dimethylamino)-1,2-diphenyl-hexan-2-ol (C30H33BrN2O2)

Structural Information

Molecular Formula

SMILES

CN(C)CCCCC(C1=CC=CC=C1)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)Br)OC)O

InChI

InChI=1S/C30H33BrN2O2/c1-33(2)19-11-10-18-30(34,24-14-8-5-9-15-24)28(22-12-6-4-7-13-22)26-21-23-20-25(31)16-17-27(23)32-29(26)35-3/h4-9,12-17,20-21,28,34H,10-11,18-19H2,1-3H3

InChIKey

PROXMDVUQIBRCA-UHFFFAOYSA-N

Compound name

1-(6-bromo-2-methoxyquinolin-3-yl)-6-(dimethylamino)-1,2-diphenylhexan-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]+	533.17983	228.3
[M+Na]+	555.16177	233.2
[M-H]-	531.16527	237.7
[M+NH4]+	550.20637	236.1
[M+K]+	571.13571	220.8
[M+H-H2O]+	515.16981	223.1
[M+HCOO]-	577.17075	241.6
[M+CH3COO]-	591.18640	245.6
[M+Na-2H]-	553.14722	230.5
[M]+	532.17200	248.4
[M]-	532.17310	248.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.17983

228.3

[M+Na]+

555.16177

233.2

[M-H]-

531.16527

237.7

[M+NH4]+

550.20637

236.1

[M+K]+

571.13571

220.8

[M+H-H2O]+

515.16981

223.1

[M+HCOO]-

577.17075

241.6

[M+CH3COO]-

591.18640

245.6

[M+Na-2H]-

553.14722

230.5

[M]+

532.17200

248.4

[M]-

532.17310

248.4

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)-6-(dimethylamino)-1,2-diphenyl-hexan-2-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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