CID 3046775

Brn 2304029

Structural Information

Molecular Formula
C17H16F2N2O2
SMILES
C1=CC(=CC=C1C(=NCCCC(=O)N)C2=C(C=CC(=C2)F)O)F
InChI
InChI=1S/C17H16F2N2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)
InChIKey
KIJKXTLWFQPVDX-UHFFFAOYSA-N
Compound name
4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.11798 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12526 172.8
[M+Na]+ 341.10720 179.2
[M-H]- 317.11070 176.4
[M+NH4]+ 336.15180 186.1
[M+K]+ 357.08114 174.3
[M+H-H2O]+ 301.11524 162.6
[M+HCOO]- 363.11618 194.2
[M+CH3COO]- 377.13183 212.9
[M+Na-2H]- 339.09265 173.1
[M]+ 318.11743 169.6
[M]- 318.11853 169.6
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.