Mobenzoxamine (C30H35FN2O3)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C30H35FN2O3/c1-35-28-15-11-26(12-16-28)30(25-6-3-2-4-7-25)36-23-22-33-20-18-32(19-21-33)17-5-8-29(34)24-9-13-27(31)14-10-24/h2-4,6-7,9-16,30H,5,8,17-23H2,1H3

InChIKey

DFNYDADZMXPPLY-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-4-[4-[2-[(4-methoxyphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]butan-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]+	491.270456	223.7
[M+Na]+	513.252398	224.2
[M-H]-	489.255904	229.4
[M+NH4]+	508.297003	225.9
[M+K]+	529.226338	217.6
[M+H-H2O]+	473.260440	208.2
[M+HCOO]-	535.261381	235.1
[M+CH3COO]-	549.277031	240.3
[M+Na-2H]-	511.237846	219.9
[M]+	490.26263142	221.2
[M]-	490.26372858	221.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.270456

223.7

[M+Na]+

513.252398

224.2

[M-H]-

489.255904

229.4

[M+NH4]+

508.297003

225.9

[M+K]+

529.226338

217.6

[M+H-H2O]+

473.260440

208.2

[M+HCOO]-

535.261381

235.1

[M+CH3COO]-

549.277031

240.3

[M+Na-2H]-

511.237846

219.9

[M]+

490.26263142

221.2

[M]-

490.26372858

221.2

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

Mobenzoxamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe