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]+ 335.09572 176.3
[M+Na]+ 357.07766 183.5
[M-H]- 333.08116 181.2
[M+NH4]+ 352.12226 190.1
[M+K]+ 373.05160 177.3
[M+H-H2O]+ 317.08570 168.1
[M+HCOO]- 379.08664 194.4
[M+CH3COO]- 393.10229 213.8
[M+Na-2H]- 355.06311 176.8
[M]+ 334.08789 176.7
[M]- 334.08899 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.