CID 3076536

4-(((5-fluoro-2-hydroxyphenyl)-2-thienylmethylene)amino)butanamide

Structural Information

Molecular Formula
C15H15FN2O2S
SMILES
C1=CSC(=C1)C(=NCCCC(=O)N)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C15H15FN2O2S/c16-10-5-6-12(19)11(9-10)15(13-3-2-8-21-13)18-7-1-4-14(17)20/h2-3,5-6,8-9,19H,1,4,7H2,(H2,17,20)
InChIKey
WQRNILMDIQTEBK-UHFFFAOYSA-N
Compound name
4-[[(5-fluoro-2-hydroxyphenyl)-thiophen-2-ylmethylidene]amino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.08383 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09111 169.3
[M+Na]+ 329.07305 175.5
[M-H]- 305.07655 174.3
[M+NH4]+ 324.11765 185.4
[M+K]+ 345.04699 170.7
[M+H-H2O]+ 289.08109 160.9
[M+HCOO]- 351.08203 187.9
[M+CH3COO]- 365.09768 206.3
[M+Na-2H]- 327.05850 167.4
[M]+ 306.08328 169.3
[M]- 306.08438 169.3
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.