CID 135459814

2', 4' - difluoro-4-hydroxy-biphenyl-3-carboxylic acid (4-hydroxy-3-methoxybenzylidene) hydrazide

Structural Information

Molecular Formula
C21H16F2N2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(C=CC(=C2)C3=C(C=C(C=C3)F)F)O)O
InChI
InChI=1S/C21H16F2N2O4/c1-29-20-8-12(2-6-19(20)27)11-24-25-21(28)16-9-13(3-7-18(16)26)15-5-4-14(22)10-17(15)23/h2-11,26-27H,1H3,(H,25,28)/b24-11+
InChIKey
SFCWMITUCFSLFF-BHGWPJFGSA-N
Compound name
5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.10782 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.11510 191.9
[M+Na]+ 421.09704 199.9
[M-H]- 397.10054 198.6
[M+NH4]+ 416.14164 201.6
[M+K]+ 437.07098 194.5
[M+H-H2O]+ 381.10508 180.2
[M+HCOO]- 443.10602 213.5
[M+CH3COO]- 457.12167 226.0
[M+Na-2H]- 419.08249 192.4
[M]+ 398.10727 191.3
[M]- 398.10837 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.