PubChemLite - 2-naphthaleneacetamide, n-(2,3-dihydro-2-(1-pyrrolidinyl)-1h-inden-1-yl)-n-methyl-, monohydrochloride, trans-(+-)- (C26H28N2O)

Structural Information

Molecular Formula

SMILES

CN([C@H]1[C@@H](CC2=CC=CC=C12)N3CCCC3)C(=O)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H28N2O/c1-27(25(29)17-19-12-13-20-8-2-3-9-21(20)16-19)26-23-11-5-4-10-22(23)18-24(26)28-14-6-7-15-28/h2-5,8-13,16,24,26H,6-7,14-15,17-18H2,1H3/t24-,26-/m1/s1

InChIKey

MQLGOSUTZIXXBB-AOYPEHQESA-N

Compound name

N-methyl-2-naphthalen-2-yl-N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]acetamide

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]+	385.22743	195.4
[M+Na]+	407.20937	199.0
[M-H]-	383.21287	205.9
[M+NH4]+	402.25397	210.6
[M+K]+	423.18331	193.2
[M+H-H2O]+	367.21741	185.6
[M+HCOO]-	429.21835	213.2
[M+CH3COO]-	443.23400	204.3
[M+Na-2H]-	405.19482	192.6
[M]+	384.21960	192.8
[M]-	384.22070	192.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

385.22743

195.4

[M+Na]+

407.20937

199.0

[M-H]-

383.21287

205.9

[M+NH4]+

402.25397

210.6

[M+K]+

423.18331

193.2

[M+H-H2O]+

367.21741

185.6

[M+HCOO]-

429.21835

213.2

[M+CH3COO]-

443.23400

204.3

[M+Na-2H]-

405.19482

192.6

[M]+

384.21960

192.8

[M]-

384.22070

192.8

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

2-naphthaleneacetamide, n-(2,3-dihydro-2-(1-pyrrolidinyl)-1h-inden-1-yl)-n-methyl-, monohydrochloride, trans-(+-)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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