CID 3046759

Sl 75,054

Structural Information

Molecular Formula
C24H30FNO3
SMILES
C1=CC=C(C=C1)C(=NCCCCCCCCCCC(=O)O)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C24H30FNO3/c25-20-15-16-22(27)21(18-20)24(19-12-8-7-9-13-19)26-17-11-6-4-2-1-3-5-10-14-23(28)29/h7-9,12-13,15-16,18,27H,1-6,10-11,14,17H2,(H,28,29)
InChIKey
PZXVONJGPPNSLK-UHFFFAOYSA-N
Compound name
11-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]undecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.22098 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.22826 200.4
[M+Na]+ 422.21020 202.8
[M-H]- 398.21370 202.7
[M+NH4]+ 417.25480 209.8
[M+K]+ 438.18414 197.0
[M+H-H2O]+ 382.21824 189.9
[M+HCOO]- 444.21918 218.6
[M+CH3COO]- 458.23483 224.8
[M+Na-2H]- 420.19565 198.4
[M]+ 399.22043 201.5
[M]- 399.22153 201.5
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.