PubChemLite - Lidoflazine (C30H35F2N3O)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36)

InChIKey

ZBIAKUMOEKILTF-UHFFFAOYSA-N

Compound name

2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

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]+	492.28208	225.7
[M+Na]+	514.26402	227.9
[M-H]-	490.26752	230.9
[M+NH4]+	509.30862	228.6
[M+K]+	530.23796	219.4
[M+H-H2O]+	474.27206	210.0
[M+HCOO]-	536.27300	236.9
[M+CH3COO]-	550.28865	245.7
[M+Na-2H]-	512.24947	220.4
[M]+	491.27425	219.9
[M]-	491.27535	219.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

492.28208

225.7

[M+Na]+

514.26402

227.9

[M-H]-

490.26752

230.9

[M+NH4]+

509.30862

228.6

[M+K]+

530.23796

219.4

[M+H-H2O]+

474.27206

210.0

[M+HCOO]-

536.27300

236.9

[M+CH3COO]-

550.28865

245.7

[M+Na-2H]-

512.24947

220.4

[M]+

491.27425

219.9

[M]-

491.27535

219.9

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

Lidoflazine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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