CID 3055715

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

Structural Information

Molecular Formula
C18H17ClFNO3
SMILES
COC(=O)CCCN=C(C1=CC=C(C=C1)Cl)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C18H17ClFNO3/c1-24-17(23)3-2-10-21-18(12-4-6-13(19)7-5-12)15-11-14(20)8-9-16(15)22/h4-9,11,22H,2-3,10H2,1H3
InChIKey
QNNXGSSEUNZTPD-UHFFFAOYSA-N
Compound name
methyl 4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0881 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09538 178.8
[M+Na]+ 372.07732 186.3
[M-H]- 348.08082 184.1
[M+NH4]+ 367.12192 192.5
[M+K]+ 388.05126 180.9
[M+H-H2O]+ 332.08536 170.5
[M+HCOO]- 394.08630 196.3
[M+CH3COO]- 408.10195 213.6
[M+Na-2H]- 370.06277 179.5
[M]+ 349.08755 182.5
[M]- 349.08865 182.5
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.