CID 2823016

Ns00096576

Structural Information

Molecular Formula

C₂₀H₂₁ClN₂O₄

SMILES

COC1=C(C=C(C=C1)C(=NOC(=O)C2=CC=C(C=C2)Cl)N)OC3CCCC3

InChI

InChI=1S/C20H21ClN2O4/c1-25-17-11-8-14(12-18(17)26-16-4-2-3-5-16)19(22)23-27-20(24)13-6-9-15(21)10-7-13/h6-12,16H,2-5H2,1H3,(H2,22,23)

InChIKey

KZMGCPISDHCDHC-UHFFFAOYSA-N

Compound name

[[amino-(3-cyclopentyloxy-4-methoxyphenyl)methylidene]amino] 4-chlorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 388.119 Da
Monoisotopic Mass: 4.7
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]+	389.126276	191.4
[M+Na]+	411.108218	196.3
[M-H]-	387.111724	201.6
[M+NH4]+	406.152823	204.7
[M+K]+	427.082158	192.3
[M+H-H2O]+	371.116260	182.8
[M+HCOO]-	433.117201	210.6
[M+CH3COO]-	447.132851	222.5
[M+Na-2H]-	409.093666	189.8
[M]+	388.11845142	193.9
[M]-	388.11954858	193.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.