CID 9633055

1-(2-(4-bromobenzoyl)carbohydrazonoyl)-2-naphthyl 2-chlorobenzoate

Structural Information

Molecular Formula
C25H16BrClN2O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=CC=C(C=C3)Br)OC(=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C25H16BrClN2O3/c26-18-12-9-17(10-13-18)24(30)29-28-15-21-19-6-2-1-5-16(19)11-14-23(21)32-25(31)20-7-3-4-8-22(20)27/h1-15H,(H,29,30)/b28-15+
InChIKey
YLRVHRJBOCYQDX-RWPZCVJISA-N
Compound name
[1-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.00327 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.01055 210.8
[M+Na]+ 528.99249 220.0
[M-H]- 504.99599 223.8
[M+NH4]+ 524.03709 222.4
[M+K]+ 544.96643 206.5
[M+H-H2O]+ 489.00053 206.7
[M+HCOO]- 551.00147 227.5
[M+CH3COO]- 565.01712 221.2
[M+Na-2H]- 526.97794 214.7
[M]+ 506.00272 232.7
[M]- 506.00382 232.7
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.