CID 3046757

Sl 75,053

Structural Information

Molecular Formula
C18H18FNO3
SMILES
CC1=CC(=C(C=C1)O)C(=NCCCC(=O)O)C2=CC=CC=C2F
InChI
InChI=1S/C18H18FNO3/c1-12-8-9-16(21)14(11-12)18(20-10-4-7-17(22)23)13-5-2-3-6-15(13)19/h2-3,5-6,8-9,11,21H,4,7,10H2,1H3,(H,22,23)
InChIKey
WVHHMJXXDPXSTG-UHFFFAOYSA-N
Compound name
4-[[(2-fluorophenyl)-(2-hydroxy-5-methylphenyl)methylidene]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.12708 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.134356 173.0
[M+Na]+ 338.116298 179.2
[M-H]- 314.119804 177.0
[M+NH4]+ 333.160903 186.4
[M+K]+ 354.090238 174.7
[M+H-H2O]+ 298.124340 164.1
[M+HCOO]- 360.125281 193.4
[M+CH3COO]- 374.140931 208.3
[M+Na-2H]- 336.101746 173.6
[M]+ 315.12653142 172.5
[M]- 315.12762858 172.5
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.