CID 9633490

1-(2-((4-fluoroanilino)(oxo)ac)carbohydrazonoyl)-2-naphthyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C26H16Cl2FN3O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C(=O)NC3=CC=C(C=C3)F)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C26H16Cl2FN3O4/c27-16-6-11-20(22(28)13-16)26(35)36-23-12-5-15-3-1-2-4-19(15)21(23)14-30-32-25(34)24(33)31-18-9-7-17(29)8-10-18/h1-14H,(H,31,33)(H,32,34)/b30-14+
InChIKey
OHLCVYKLQKLUPO-AMVVHIIESA-N
Compound name
[1-[(E)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.0502 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.05748 219.5
[M+Na]+ 546.03942 226.8
[M-H]- 522.04292 229.1
[M+NH4]+ 541.08402 227.1
[M+K]+ 562.01336 220.3
[M+H-H2O]+ 506.04746 209.1
[M+HCOO]- 568.04840 233.2
[M+CH3COO]- 582.06405 249.3
[M+Na-2H]- 544.02487 220.4
[M]+ 523.04965 225.0
[M]- 523.05075 225.0
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.