PubChemLite - 2-(2-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)ethylamino)benzoxazole fumarate (C26H27ClN4O2)

Structural Information

Molecular Formula

SMILES

C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCNC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C26H27ClN4O2/c27-20-10-8-19(9-11-20)25(23-6-3-4-14-28-23)32-21-12-16-31(17-13-21)18-15-29-26-30-22-5-1-2-7-24(22)33-26/h1-11,14,21,25H,12-13,15-18H2,(H,29,30)

InChIKey

VBXZAGSHRLDYOC-UHFFFAOYSA-N

Compound name

N-[2-[4-[(4-chlorophenyl)-pyridin-2-ylmethoxy]piperidin-1-yl]ethyl]-1,3-benzoxazol-2-amine

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]+	463.18953	209.6
[M+Na]+	485.17147	214.4
[M-H]-	461.17497	218.3
[M+NH4]+	480.21607	214.3
[M+K]+	501.14541	207.5
[M+H-H2O]+	445.17951	196.0
[M+HCOO]-	507.18045	220.3
[M+CH3COO]-	521.19610	216.2
[M+Na-2H]-	483.15692	210.9
[M]+	462.18170	210.8
[M]-	462.18280	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.18953

209.6

[M+Na]+

485.17147

214.4

[M-H]-

461.17497

218.3

[M+NH4]+

480.21607

214.3

[M+K]+

501.14541

207.5

[M+H-H2O]+

445.17951

196.0

[M+HCOO]-

507.18045

220.3

[M+CH3COO]-

521.19610

216.2

[M+Na-2H]-

483.15692

210.9

[M]+

462.18170

210.8

[M]-

462.18280

210.8

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

2-(2-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)ethylamino)benzoxazole fumarate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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