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]+ 316.13436 173.0
[M+Na]+ 338.11630 179.2
[M-H]- 314.11980 177.0
[M+NH4]+ 333.16090 186.4
[M+K]+ 354.09024 174.7
[M+H-H2O]+ 298.12434 164.1
[M+HCOO]- 360.12528 193.4
[M+CH3COO]- 374.14093 208.3
[M+Na-2H]- 336.10175 173.6
[M]+ 315.12653 172.5
[M]- 315.12763 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.