PubChemLite - 11-fluoro dihydroloratadine (C22H24ClFN2O2)

Structural Information

Molecular Formula

SMILES

CCOC(=O)N1CCC(CC1)C2(C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)F

InChI

InChI=1S/C22H24ClFN2O2/c1-2-28-21(27)26-12-9-17(10-13-26)22(24)19-8-7-18(23)14-16(19)6-5-15-4-3-11-25-20(15)22/h3-4,7-8,11,14,17H,2,5-6,9-10,12-13H2,1H3

InChIKey

OVPFJWGOZPZTKG-UHFFFAOYSA-N

Compound name

ethyl 4-(13-chloro-2-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidine-1-carboxylate

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]+	403.15831	193.0
[M+Na]+	425.14025	200.3
[M-H]-	401.14375	197.3
[M+NH4]+	420.18485	205.4
[M+K]+	441.11419	197.1
[M+H-H2O]+	385.14829	182.2
[M+HCOO]-	447.14923	200.0
[M+CH3COO]-	461.16488	200.7
[M+Na-2H]-	423.12570	194.6
[M]+	402.15048	189.0
[M]-	402.15158	189.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

403.15831

193.0

[M+Na]+

425.14025

200.3

[M-H]-

401.14375

197.3

[M+NH4]+

420.18485

205.4

[M+K]+

441.11419

197.1

[M+H-H2O]+

385.14829

182.2

[M+HCOO]-

447.14923

200.0

[M+CH3COO]-

461.16488

200.7

[M+Na-2H]-

423.12570

194.6

[M]+

402.15048

189.0

[M]-

402.15158

189.0

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

11-fluoro dihydroloratadine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe