CID 45054756

1-(2-(4-bromobenzoyl)carbohydrazonoyl)-2-naphthyl 3-methylbenzoate

Structural Information

Molecular Formula
C26H19BrN2O3
SMILES
CC1=CC(=CC=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C26H19BrN2O3/c1-17-5-4-7-20(15-17)26(31)32-24-14-11-18-6-2-3-8-22(18)23(24)16-28-29-25(30)19-9-12-21(27)13-10-19/h2-16H,1H3,(H,29,30)/b28-16+
InChIKey
CBDMKKQMNIZDSV-LQKURTRISA-N
Compound name
[1-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.05792 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.06520 209.9
[M+Na]+ 509.04714 217.4
[M-H]- 485.05064 222.8
[M+NH4]+ 504.09174 221.1
[M+K]+ 525.02108 205.3
[M+H-H2O]+ 469.05518 204.8
[M+HCOO]- 531.05612 230.3
[M+CH3COO]- 545.07177 238.6
[M+Na-2H]- 507.03259 213.4
[M]+ 486.05737 229.4
[M]- 486.05847 229.4
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.