PubChemLite - 7,9-dichloro-2-(4-methoxyphenyl)-1'-propyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine] (C24H27Cl2N3O2)

Structural Information

Molecular Formula

SMILES

CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(O2)C(=CC(=C5)Cl)Cl

InChI

InChI=1S/C24H27Cl2N3O2/c1-3-10-28-11-8-24(9-12-28)29-22(19-13-17(25)14-20(26)23(19)31-24)15-21(27-29)16-4-6-18(30-2)7-5-16/h4-7,13-14,22H,3,8-12,15H2,1-2H3

InChIKey

LTFOHLYEYYOTAE-UHFFFAOYSA-N

Compound name

7,9-dichloro-2-(4-methoxyphenyl)-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

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]+	460.15532	212.1
[M+Na]+	482.13726	220.9
[M-H]-	458.14076	217.3
[M+NH4]+	477.18186	222.5
[M+K]+	498.11120	213.7
[M+H-H2O]+	442.14530	199.9
[M+HCOO]-	504.14624	212.6
[M+CH3COO]-	518.16189	218.9
[M+Na-2H]-	480.12271	210.2
[M]+	459.14749	214.2
[M]-	459.14859	214.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

460.15532

212.1

[M+Na]+

482.13726

220.9

[M-H]-

458.14076

217.3

[M+NH4]+

477.18186

222.5

[M+K]+

498.11120

213.7

[M+H-H2O]+

442.14530

199.9

[M+HCOO]-

504.14624

212.6

[M+CH3COO]-

518.16189

218.9

[M+Na-2H]-

480.12271

210.2

[M]+

459.14749

214.2

[M]-

459.14859

214.2

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

7,9-dichloro-2-(4-methoxyphenyl)-1'-propyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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