PubChemLite - 7-hydroxy-n-[1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylpentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (C29H41N3O3)

Structural Information

Molecular Formula

SMILES

CCC(C)C(CN1CCC(C(C1)C)(C)C2=CC(=CC=C2)O)NC(=O)C3CC4=C(CN3)C=C(C=C4)O

InChI

InChI=1S/C29H41N3O3/c1-5-19(2)27(31-28(35)26-14-21-9-10-25(34)13-22(21)16-30-26)18-32-12-11-29(4,20(3)17-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,30,33-34H,5,11-12,14,16-18H2,1-4H3,(H,31,35)

InChIKey

TVSAIJHIWGSNAM-UHFFFAOYSA-N

Compound name

7-hydroxy-N-[1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylpentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

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]+	480.32208	222.1
[M+Na]+	502.30402	231.2
[M+NH4]+	497.34862	228.1
[M+K]+	518.27796	223.3
[M-H]-	478.30752	225.7
[M+Na-2H]-	500.28947	226.0
[M]+	479.31425	224.2
[M]-	479.31535	224.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.32208

222.1

[M+Na]+

502.30402

231.2

[M+NH4]+

497.34862

228.1

[M+K]+

518.27796

223.3

[M-H]-

478.30752

225.7

[M+Na-2H]-

500.28947

226.0

[M]+

479.31425

224.2

[M]-

479.31535

224.2

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

7-hydroxy-n-[1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylpentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe