PubChemLite - Mazipredone hydrochloride (C26H38N2O4)

Structural Information

Molecular Formula

SMILES

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CN4CCN(CC4)C)O)CCC5=CC(=O)C=C[C@]35C)O

InChI

InChI=1S/C26H38N2O4/c1-24-8-6-18(29)14-17(24)4-5-19-20-7-9-26(32,25(20,2)15-21(30)23(19)24)22(31)16-28-12-10-27(3)11-13-28/h6,8,14,19-21,23,30,32H,4-5,7,9-13,15-16H2,1-3H3/t19-,20-,21-,23+,24-,25-,26-/m0/s1

InChIKey

CZBOZZDZNVIXFC-VRRJBYJJSA-N

Compound name

(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-[2-(4-methylpiperazin-1-yl)acetyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-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]+	443.29045	211.3
[M+Na]+	465.27239	215.0
[M-H]-	441.27589	212.6
[M+NH4]+	460.31699	226.5
[M+K]+	481.24633	208.9
[M+H-H2O]+	425.28043	201.9
[M+HCOO]-	487.28137	212.1
[M+CH3COO]-	501.29702	215.9
[M+Na-2H]-	463.25784	207.5
[M]+	442.28262	203.2
[M]-	442.28372	203.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.29045

211.3

[M+Na]+

465.27239

215.0

[M-H]-

441.27589

212.6

[M+NH4]+

460.31699

226.5

[M+K]+

481.24633

208.9

[M+H-H2O]+

425.28043

201.9

[M+HCOO]-

487.28137

212.1

[M+CH3COO]-

501.29702

215.9

[M+Na-2H]-

463.25784

207.5

[M]+

442.28262

203.2

[M]-

442.28372

203.2

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

Mazipredone hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe