PubChemLite - 134070-24-9 (C23H25Cl3N2O3)

Structural Information

Molecular Formula

SMILES

CC1(C2(CCN(CC2)CCC3=CC=C(C=C3)Cl)OC(=O)N1CC4=CC(=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C23H25Cl3N2O3/c1-22(30)23(31-21(29)28(22)15-17-4-7-19(25)20(26)14-17)9-12-27(13-10-23)11-8-16-2-5-18(24)6-3-16/h2-7,14,30H,8-13,15H2,1H3

InChIKey

UNIVHAAEZFTHDR-UHFFFAOYSA-N

Compound name

8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

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]+	483.10036	208.6
[M+Na]+	505.08230	217.3
[M-H]-	481.08580	214.8
[M+NH4]+	500.12690	219.1
[M+K]+	521.05624	210.4
[M+H-H2O]+	465.09034	199.4
[M+HCOO]-	527.09128	206.9
[M+CH3COO]-	541.10693	215.5
[M+Na-2H]-	503.06775	205.4
[M]+	482.09253	210.1
[M]-	482.09363	210.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.10036

208.6

[M+Na]+

505.08230

217.3

[M-H]-

481.08580

214.8

[M+NH4]+

500.12690

219.1

[M+K]+

521.05624

210.4

[M+H-H2O]+

465.09034

199.4

[M+HCOO]-

527.09128

206.9

[M+CH3COO]-

541.10693

215.5

[M+Na-2H]-

503.06775

205.4

[M]+

482.09253

210.1

[M]-

482.09363

210.1

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

134070-24-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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