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]+ 330.15001 177.8
[M+Na]+ 352.13195 182.5
[M-H]- 328.13545 181.2
[M+NH4]+ 347.17655 190.2
[M+K]+ 368.10589 177.8
[M+H-H2O]+ 312.13999 168.4
[M+HCOO]- 374.14093 197.9
[M+CH3COO]- 388.15658 210.0
[M+Na-2H]- 350.11740 178.6
[M]+ 329.14218 177.2
[M]- 329.14328 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.