PubChemLite - Win 55212-2 (C27H26N2O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C2=C3N1[C@@H](COC3=CC=C2)CN4CCOCC4)C(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1

InChIKey

HQVHOQAKMCMIIM-HXUWFJFHSA-N

Compound name

[(11R)-2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone

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]+	427.20162	203.8
[M+Na]+	449.18356	220.5
[M+NH4]+	444.22816	212.6
[M+K]+	465.15750	213.2
[M-H]-	425.18706	213.0
[M+Na-2H]-	447.16901	208.9
[M]+	426.19379	209.1
[M]-	426.19489	209.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.20162

203.8

[M+Na]+

449.18356

220.5

[M+NH4]+

444.22816

212.6

[M+K]+

465.15750

213.2

[M-H]-

425.18706

213.0

[M+Na-2H]-

447.16901

208.9

[M]+

426.19379

209.1

[M]-

426.19489

209.1

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

Win 55212-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe