PubChemLite - Mt-7716 (C27H28N4O2)

Structural Information

Molecular Formula

SMILES

CNC(=O)CN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)[C@@H]4CC5=CC=CC6=C5C4=CC=C6

InChI

InChI=1S/C27H28N4O2/c1-28-25(32)17-30-22-10-2-3-11-23(22)31(27(30)33)20-12-14-29(15-13-20)24-16-19-8-4-6-18-7-5-9-21(24)26(18)19/h2-11,20,24H,12-17H2,1H3,(H,28,32)/t24-/m1/s1

InChIKey

PJANMOWVUZBDQF-XMMPIXPASA-N

Compound name

2-[3-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide

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]+	441.22850	207.0
[M+Na]+	463.21044	221.2
[M+NH4]+	458.25504	214.8
[M+K]+	479.18438	216.0
[M-H]-	439.21394	212.7
[M+Na-2H]-	461.19589	211.9
[M]+	440.22067	210.6
[M]-	440.22177	210.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.22850

207.0

[M+Na]+

463.21044

221.2

[M+NH4]+

458.25504

214.8

[M+K]+

479.18438

216.0

[M-H]-

439.21394

212.7

[M+Na-2H]-

461.19589

211.9

[M]+

440.22067

210.6

[M]-

440.22177

210.6

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

Mt-7716

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe