CID 690830

Ethyl 4-[(4-chlorobenzylidene)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

0
Patents

287.07132 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07860 164.5
[M+Na]+ 310.06054 172.8
[M-H]- 286.06404 172.5
[M+NH4]+ 305.10514 181.4
[M+K]+ 326.03448 167.9
[M+H-H2O]+ 270.06858 157.1
[M+HCOO]- 332.06952 186.0
[M+CH3COO]- 346.08517 203.4
[M+Na-2H]- 308.04599 169.1
[M]+ 287.07077 169.1
[M]- 287.07187 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.