CID 9633883

1-(2-(4-bromobenzoyl)carbohydrazonoyl)-2-naphthyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C25H15BrCl2N2O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=CC=C(C=C3)Br)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C25H15BrCl2N2O3/c26-17-8-5-16(6-9-17)24(31)30-29-14-21-19-4-2-1-3-15(19)7-12-23(21)33-25(32)20-11-10-18(27)13-22(20)28/h1-14H,(H,30,31)/b29-14+
InChIKey
UYGPLLDEBQGDPU-IPPBACCNSA-N
Compound name
[1-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.9643 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.97158 214.7
[M+Na]+ 562.95352 225.4
[M-H]- 538.95702 227.2
[M+NH4]+ 557.99812 225.9
[M+K]+ 578.92746 211.1
[M+H-H2O]+ 522.96156 211.4
[M+HCOO]- 584.96250 226.7
[M+CH3COO]- 598.97815 224.9
[M+Na-2H]- 560.93897 217.4
[M]+ 539.96375 238.4
[M]- 539.96485 238.4
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.