CID 690830

Ethyl 4-{(e)-[(4-chlorophenyl)methylidene]amino}benzoate

Structural Information

Molecular Formula

C₁₆H₁₄ClNO₂

SMILES

CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClNO2/c1-2-20-16(19)13-5-9-15(10-6-13)18-11-12-3-7-14(17)8-4-12/h3-11H,2H2,1H3

InChIKey

NEDIAEKHSBGMMT-UHFFFAOYSA-N

Compound name

ethyl 4-[(4-chlorophenyl)methylideneamino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 287.07132 Da
Monoisotopic Mass: 4.1
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]+	288.078596	164.5
[M+Na]+	310.060538	172.8
[M-H]-	286.064044	172.5
[M+NH4]+	305.105143	181.4
[M+K]+	326.034478	167.9
[M+H-H2O]+	270.068580	157.1
[M+HCOO]-	332.069521	186.0
[M+CH3COO]-	346.085171	203.4
[M+Na-2H]-	308.045986	169.1
[M]+	287.07077142	169.1
[M]-	287.07186858	169.1

Literature stripe

literature stripe

Patent stripe

patents stripe