CID 3055717

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

Structural Information

Molecular Formula
C23H27ClFNO3
SMILES
CCCCCCOC(=O)CCCN=C(C1=CC=C(C=C1)Cl)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C23H27ClFNO3/c1-2-3-4-5-15-29-22(28)7-6-14-26-23(17-8-10-18(24)11-9-17)20-16-19(25)12-13-21(20)27/h8-13,16,27H,2-7,14-15H2,1H3
InChIKey
WRUDNAYUFKIODW-UHFFFAOYSA-N
Compound name
hexyl 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.16635 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.17363 201.9
[M+Na]+ 442.15557 207.2
[M-H]- 418.15907 206.1
[M+NH4]+ 437.20017 212.7
[M+K]+ 458.12951 200.6
[M+H-H2O]+ 402.16361 192.4
[M+HCOO]- 464.16455 217.6
[M+CH3COO]- 478.18020 228.3
[M+Na-2H]- 440.14102 199.9
[M]+ 419.16580 207.3
[M]- 419.16690 207.3
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.