CID 3055716

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

Structural Information

Molecular Formula
C21H23ClFNO3
SMILES
CCCCOC(=O)CCCN=C(C1=CC=C(C=C1)Cl)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C21H23ClFNO3/c1-2-3-13-27-20(26)5-4-12-24-21(15-6-8-16(22)9-7-15)18-14-17(23)10-11-19(18)25/h6-11,14,25H,2-5,12-13H2,1H3
InChIKey
VWOQSRCNDCJFOR-UHFFFAOYSA-N
Compound name
butyl 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.13504 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.14232 192.7
[M+Na]+ 414.12426 198.9
[M-H]- 390.12776 197.4
[M+NH4]+ 409.16886 204.7
[M+K]+ 430.09820 192.8
[M+H-H2O]+ 374.13230 183.7
[M+HCOO]- 436.13324 209.2
[M+CH3COO]- 450.14889 222.4
[M+Na-2H]- 412.10971 191.8
[M]+ 391.13449 197.5
[M]- 391.13559 197.5
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.