PubChemLite - Tiropramide (C28H41N3O3)

Structural Information

Molecular Formula

SMILES

CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)

InChIKey

FDBWMYOFXWMGEY-UHFFFAOYSA-N

Compound name

N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide

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]+	468.32208	223.8
[M+Na]+	490.30402	222.2
[M-H]-	466.30752	230.5
[M+NH4]+	485.34862	231.3
[M+K]+	506.27796	220.5
[M+H-H2O]+	450.31206	212.2
[M+HCOO]-	512.31300	245.2
[M+CH3COO]-	526.32865	251.9
[M+Na-2H]-	488.28947	219.9
[M]+	467.31425	229.1
[M]-	467.31535	229.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.32208

223.8

[M+Na]+

490.30402

222.2

[M-H]-

466.30752

230.5

[M+NH4]+

485.34862

231.3

[M+K]+

506.27796

220.5

[M+H-H2O]+

450.31206

212.2

[M+HCOO]-

512.31300

245.2

[M+CH3COO]-

526.32865

251.9

[M+Na-2H]-

488.28947

219.9

[M]+

467.31425

229.1

[M]-

467.31535

229.1

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

Tiropramide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe