PubChemLite - 0zn0aq6sbv (C26H38N6O2)

Structural Information

Molecular Formula

SMILES

CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NC3C[C@H]4CC[C@@H](C3)N4CCN5CCN(CC5)C(=O)C

InChI

InChI=1S/C26H38N6O2/c1-18(2)32-24-7-5-4-6-23(24)25(28-32)26(34)27-20-16-21-8-9-22(17-20)31(21)15-12-29-10-13-30(14-11-29)19(3)33/h4-7,18,20-22H,8-17H2,1-3H3,(H,27,34)/t20?,21-,22+

InChIKey

ZQMXTDPQEHZTBG-FRIKZZABSA-N

Compound name

N-[(1R,5S)-8-[2-(4-acetylpiperazin-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-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]+	467.31291	216.3
[M+Na]+	489.29485	218.0
[M-H]-	465.29835	218.6
[M+NH4]+	484.33945	222.8
[M+K]+	505.26879	212.3
[M+H-H2O]+	449.30289	204.6
[M+HCOO]-	511.30383	222.0
[M+CH3COO]-	525.31948	220.3
[M+Na-2H]-	487.28030	209.1
[M]+	466.30508	212.7
[M]-	466.30618	212.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.31291

216.3

[M+Na]+

489.29485

218.0

[M-H]-

465.29835

218.6

[M+NH4]+

484.33945

222.8

[M+K]+

505.26879

212.3

[M+H-H2O]+

449.30289

204.6

[M+HCOO]-

511.30383

222.0

[M+CH3COO]-

525.31948

220.3

[M+Na-2H]-

487.28030

209.1

[M]+

466.30508

212.7

[M]-

466.30618

212.7

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

0zn0aq6sbv

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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