CID 3046815

Sl 75,059

Structural Information

Molecular Formula
C19H20FNO3
SMILES
C1=CC=C(C=C1)C(=NCCCCCC(=O)O)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C19H20FNO3/c20-15-10-11-17(22)16(13-15)19(14-7-3-1-4-8-14)21-12-6-2-5-9-18(23)24/h1,3-4,7-8,10-11,13,22H,2,5-6,9,12H2,(H,23,24)
InChIKey
RDCSRYUGISHJFB-UHFFFAOYSA-N
Compound name
6-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.14273 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.150006 177.8
[M+Na]+ 352.131948 182.5
[M-H]- 328.135454 181.2
[M+NH4]+ 347.176553 190.2
[M+K]+ 368.105888 177.8
[M+H-H2O]+ 312.139990 168.4
[M+HCOO]- 374.140931 197.9
[M+CH3COO]- 388.156581 210.0
[M+Na-2H]- 350.117396 178.6
[M]+ 329.14218142 177.2
[M]- 329.14327858 177.2
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.