CID 3046750

Sl 75,029

Structural Information

Molecular Formula
C18H18FNO3
SMILES
CC1=CC=CC=C1C(=NCCCC(=O)O)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C18H18FNO3/c1-12-5-2-3-6-14(12)18(20-10-4-7-17(22)23)15-11-13(19)8-9-16(15)21/h2-3,5-6,8-9,11,21H,4,7,10H2,1H3,(H,22,23)
InChIKey
AOOQJHPERAQKGU-UHFFFAOYSA-N
Compound name
4-[[(5-fluoro-2-hydroxyphenyl)-(2-methylphenyl)methylidene]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.12708 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13436 175.1
[M+Na]+ 338.11630 186.3
[M+NH4]+ 333.16090 180.7
[M+K]+ 354.09024 180.0
[M-H]- 314.11980 176.8
[M+Na-2H]- 336.10175 180.9
[M]+ 315.12653 176.9
[M]- 315.12763 176.9
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.