PubChemLite - Ly 353433 (C29H41N5O2)

Structural Information

Molecular Formula

SMILES

CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCCN3CCC(CC3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H41N5O2/c1-19(2)34-25-6-4-3-5-24(25)26(32-34)27(35)30-9-12-33-10-7-23(8-11-33)31-28(36)29-16-20-13-21(17-29)15-22(14-20)18-29/h3-6,19-23H,7-18H2,1-2H3,(H,30,35)(H,31,36)

InChIKey

QEZYDSSGVBTNBH-UHFFFAOYSA-N

Compound name

N-[2-[4-(adamantane-1-carbonylamino)piperidin-1-yl]ethyl]-1-propan-2-ylindazole-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]+	492.33330	204.4
[M+Na]+	514.31524	200.1
[M-H]-	490.31874	200.2
[M+NH4]+	509.35984	215.1
[M+K]+	530.28918	195.3
[M+H-H2O]+	474.32328	191.7
[M+HCOO]-	536.32422	201.9
[M+CH3COO]-	550.33987	205.5
[M+Na-2H]-	512.30069	206.8
[M]+	491.32547	201.5
[M]-	491.32657	201.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

492.33330

204.4

[M+Na]+

514.31524

200.1

[M-H]-

490.31874

200.2

[M+NH4]+

509.35984

215.1

[M+K]+

530.28918

195.3

[M+H-H2O]+

474.32328

191.7

[M+HCOO]-

536.32422

201.9

[M+CH3COO]-

550.33987

205.5

[M+Na-2H]-

512.30069

206.8

[M]+

491.32547

201.5

[M]-

491.32657

201.5

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

Ly 353433

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe