CID 9575786

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

Structural Information

Molecular Formula
C21H16F2N2O3
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)C2=C(C=CC(=C2)C3=C(C=C(C=C3)F)F)O
InChI
InChI=1S/C21H16F2N2O3/c1-28-16-6-2-13(3-7-16)12-24-25-21(27)18-10-14(4-9-20(18)26)17-8-5-15(22)11-19(17)23/h2-12,26H,1H3,(H,25,27)/b24-12+
InChIKey
QQPKXQYSGIWHQV-WYMPLXKRSA-N
Compound name
5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.11288 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.12016 188.9
[M+Na]+ 405.10210 196.6
[M-H]- 381.10560 196.5
[M+NH4]+ 400.14670 199.7
[M+K]+ 421.07604 191.0
[M+H-H2O]+ 365.11014 177.0
[M+HCOO]- 427.11108 211.8
[M+CH3COO]- 441.12673 224.5
[M+Na-2H]- 403.08755 190.4
[M]+ 382.11233 188.2
[M]- 382.11343 188.2
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.