CID 3046730

4-(((5-fluoro-2-hydroxyphenyl)phenylmethylene)amino)butanoic acid sodium salt

Structural Information

Molecular Formula
C17H16FNO3
SMILES
C1=CC=C(C=C1)C(=NCCCC(=O)O)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C17H16FNO3/c18-13-8-9-15(20)14(11-13)17(12-5-2-1-3-6-12)19-10-4-7-16(21)22/h1-3,5-6,8-9,11,20H,4,7,10H2,(H,21,22)
InChIKey
CBTCVZKBCYVGEU-UHFFFAOYSA-N
Compound name
4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.11142 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11870 168.6
[M+Na]+ 324.10064 174.3
[M-H]- 300.10414 172.4
[M+NH4]+ 319.14524 182.2
[M+K]+ 340.07458 169.9
[M+H-H2O]+ 284.10868 159.7
[M+HCOO]- 346.10962 189.4
[M+CH3COO]- 360.12527 204.1
[M+Na-2H]- 322.08609 170.5
[M]+ 301.11087 167.3
[M]- 301.11197 167.3
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.