PubChemLite - 6xly6fy7eq (C33H34FN3O)

Structural Information

Molecular Formula

SMILES

CN(C)C1(CCC2(CC1)C3=C(CCN2C(=O)/C=C/C4=CC=CC=C4)C5=CC=CC=C5N3)C6=CC(=CC=C6)F

InChI

InChI=1S/C33H34FN3O/c1-36(2)32(25-11-8-12-26(34)23-25)18-20-33(21-19-32)31-28(27-13-6-7-14-29(27)35-31)17-22-37(33)30(38)16-15-24-9-4-3-5-10-24/h3-16,23,35H,17-22H2,1-2H3/b16-15+

InChIKey

UFUGXDWGJYRUHU-FOCLMDBBSA-N

Compound name

(E)-1-[1'-(dimethylamino)-1'-(3-fluorophenyl)spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-cyclohexane]-2-yl]-3-phenylprop-2-en-1-one

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]+	508.27588	228.2
[M+Na]+	530.25782	232.7
[M-H]-	506.26132	235.9
[M+NH4]+	525.30242	238.0
[M+K]+	546.23176	223.2
[M+H-H2O]+	490.26586	212.7
[M+HCOO]-	552.26680	238.2
[M+CH3COO]-	566.28245	232.9
[M+Na-2H]-	528.24327	226.2
[M]+	507.26805	221.3
[M]-	507.26915	221.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

508.27588

228.2

[M+Na]+

530.25782

232.7

[M-H]-

506.26132

235.9

[M+NH4]+

525.30242

238.0

[M+K]+

546.23176

223.2

[M+H-H2O]+

490.26586

212.7

[M+HCOO]-

552.26680

238.2

[M+CH3COO]-

566.28245

232.9

[M+Na-2H]-

528.24327

226.2

[M]+

507.26805

221.3

[M]-

507.26915

221.3

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

6xly6fy7eq

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe