CID 3046788

Brn 2303929

Structural Information

Molecular Formula
C17H16ClFN2O2
SMILES
C1=CC(=CC(=C1)Cl)C(=NCCCC(=O)N)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C17H16ClFN2O2/c18-12-4-1-3-11(9-12)17(21-8-2-5-16(20)23)14-10-13(19)6-7-15(14)22/h1,3-4,6-7,9-10,22H,2,5,8H2,(H2,20,23)
InChIKey
FCILXPIXOWKFHI-UHFFFAOYSA-N
Compound name
4-[[(3-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.08844 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.095716 176.3
[M+Na]+ 357.077658 183.5
[M-H]- 333.081164 181.2
[M+NH4]+ 352.122263 190.1
[M+K]+ 373.051598 177.3
[M+H-H2O]+ 317.085700 168.1
[M+HCOO]- 379.086641 194.4
[M+CH3COO]- 393.102291 213.8
[M+Na-2H]- 355.063106 176.8
[M]+ 334.08789142 176.7
[M]- 334.08898858 176.7
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.