N-(9-anthrylmethyl)-n-methyl-5-oxo-1-[?]yl-pyrrolidine-3-carboxamide (C29H30N2O2)

Structural Information

Molecular Formula

SMILES

CN(CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)C4CC(=O)N(C4)C5CC67C5CCC6C7

InChI

InChI=1S/C29H30N2O2/c1-30(17-24-22-8-4-2-6-18(22)12-19-7-3-5-9-23(19)24)28(33)20-13-27(32)31(16-20)26-15-29-14-21(29)10-11-25(26)29/h2-9,12,20-21,25-26H,10-11,13-17H2,1H3

InChIKey

VRAGEKVXMFMPRW-UHFFFAOYSA-N

Compound name

N-(anthracen-9-ylmethyl)-N-methyl-5-oxo-1-(7-tricyclo[4.2.0.01,3]octanyl)pyrrolidine-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]+	439.238016	202.6
[M+Na]+	461.219958	208.8
[M-H]-	437.223464	215.1
[M+NH4]+	456.264563	208.7
[M+K]+	477.193898	205.1
[M+H-H2O]+	421.228000	190.2
[M+HCOO]-	483.228941	216.9
[M+CH3COO]-	497.244591	210.6
[M+Na-2H]-	459.205406	200.0
[M]+	438.23019142	213.6
[M]-	438.23128858	213.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.238016

202.6

[M+Na]+

461.219958

208.8

[M-H]-

437.223464

215.1

[M+NH4]+

456.264563

208.7

[M+K]+

477.193898

205.1

[M+H-H2O]+

421.228000

190.2

[M+HCOO]-

483.228941

216.9

[M+CH3COO]-

497.244591

210.6

[M+Na-2H]-

459.205406

200.0

[M]+

438.23019142

213.6

[M]-

438.23128858

213.6

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

N-(9-anthrylmethyl)-n-methyl-5-oxo-1-[?]yl-pyrrolidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe