CID 10319363

Biclofibrate

Structural Information

Molecular Formula

C₂₀H₂₁Cl₂NO₄

SMILES

CN1CCCC1COC(=O)C(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21Cl2NO4/c1-23-12-2-3-16(23)13-25-19(24)20(26-17-8-4-14(21)5-9-17)27-18-10-6-15(22)7-11-18/h4-11,16,20H,2-3,12-13H2,1H3

InChIKey

JAXUFJQVMKFWNB-UHFFFAOYSA-N

Compound name

(1-methylpyrrolidin-2-yl)methyl 2,2-bis(4-chlorophenoxy)acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 48
Patents: 409.08478 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

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]+	410.092056	192.9
[M+Na]+	432.073998	199.2
[M-H]-	408.077504	200.2
[M+NH4]+	427.118603	204.8
[M+K]+	448.047938	193.9
[M+H-H2O]+	392.082040	184.4
[M+HCOO]-	454.082981	202.5
[M+CH3COO]-	468.098631	218.4
[M+Na-2H]-	430.059446	190.1
[M]+	409.08423142	198.4
[M]-	409.08532858	198.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe