PubChemLite - Formoterol (C19H24N2O4)

Structural Information

Molecular Formula

SMILES

CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O

InChI

InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)

InChIKey

BPZSYCZIITTYBL-UHFFFAOYSA-N

Compound name

N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide

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]+	345.18088	181.9
[M+Na]+	367.16282	185.6
[M-H]-	343.16632	185.6
[M+NH4]+	362.20742	192.9
[M+K]+	383.13676	182.1
[M+H-H2O]+	327.17086	173.2
[M+HCOO]-	389.17180	202.5
[M+CH3COO]-	403.18745	215.3
[M+Na-2H]-	365.14827	182.7
[M]+	344.17305	182.5
[M]-	344.17415	182.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

345.18088

181.9

[M+Na]+

367.16282

185.6

[M-H]-

343.16632

185.6

[M+NH4]+

362.20742

192.9

[M+K]+

383.13676

182.1

[M+H-H2O]+

327.17086

173.2

[M+HCOO]-

389.17180

202.5

[M+CH3COO]-

403.18745

215.3

[M+Na-2H]-

365.14827

182.7

[M]+

344.17305

182.5

[M]-

344.17415

182.5

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

Formoterol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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