CID 3055719

2-ethoxyethyl 4-(((4-chlorophenyl)(5-fluoro-2-hydroxyphenyl)methylene)amino)butanoate

Structural Information

Molecular Formula
C21H23ClFNO4
SMILES
CCOCCOC(=O)CCCN=C(C1=CC=C(C=C1)Cl)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C21H23ClFNO4/c1-2-27-12-13-28-20(26)4-3-11-24-21(15-5-7-16(22)8-6-15)18-14-17(23)9-10-19(18)25/h5-10,14,25H,2-4,11-13H2,1H3
InChIKey
GWWIJYMLVNRXTH-UHFFFAOYSA-N
Compound name
2-ethoxyethyl 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.12997 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.13725 195.2
[M+Na]+ 430.11919 201.2
[M-H]- 406.12269 199.9
[M+NH4]+ 425.16379 206.4
[M+K]+ 446.09313 195.8
[M+H-H2O]+ 390.12723 186.0
[M+HCOO]- 452.12817 211.9
[M+CH3COO]- 466.14382 224.5
[M+Na-2H]- 428.10464 194.4
[M]+ 407.12942 201.4
[M]- 407.13052 201.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.