PubChemLite - 4-(6-flouro-1,2-benzisoxazol-3-yl)-1-(3-(3,4-methylenedioxyphenylcarbamoyloxy)propyl)piperidine (C23H24FN3O5)

Structural Information

Molecular Formula

SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCOC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24FN3O5/c24-16-2-4-18-20(12-16)32-26-22(18)15-6-9-27(10-7-15)8-1-11-29-23(28)25-17-3-5-19-21(13-17)31-14-30-19/h2-5,12-13,15H,1,6-11,14H2,(H,25,28)

InChIKey

ZEMJDGPKDOUEEZ-UHFFFAOYSA-N

Compound name

3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl N-(1,3-benzodioxol-5-yl)carbamate

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]+	442.17728	201.1
[M+Na]+	464.15922	206.8
[M-H]-	440.16272	210.3
[M+NH4]+	459.20382	208.1
[M+K]+	480.13316	205.4
[M+H-H2O]+	424.16726	191.3
[M+HCOO]-	486.16820	214.7
[M+CH3COO]-	500.18385	209.4
[M+Na-2H]-	462.14467	200.9
[M]+	441.16945	203.8
[M]-	441.17055	203.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

442.17728

201.1

[M+Na]+

464.15922

206.8

[M-H]-

440.16272

210.3

[M+NH4]+

459.20382

208.1

[M+K]+

480.13316

205.4

[M+H-H2O]+

424.16726

191.3

[M+HCOO]-

486.16820

214.7

[M+CH3COO]-

500.18385

209.4

[M+Na-2H]-

462.14467

200.9

[M]+

441.16945

203.8

[M]-

441.17055

203.8

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

4-(6-flouro-1,2-benzisoxazol-3-yl)-1-(3-(3,4-methylenedioxyphenylcarbamoyloxy)propyl)piperidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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