CID 9651196

4-(2-((2-naphthyloxy)acetyl)carbohydrazonoyl)phenyl 3-bromobenzoate

Structural Information

Molecular Formula
C26H19BrN2O4
SMILES
C1=CC=C2C=C(C=CC2=C1)OCC(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br
InChI
InChI=1S/C26H19BrN2O4/c27-22-7-3-6-21(14-22)26(31)33-23-11-8-18(9-12-23)16-28-29-25(30)17-32-24-13-10-19-4-1-2-5-20(19)15-24/h1-16H,17H2,(H,29,30)/b28-16+
InChIKey
KZCNFTKSBNQHDV-LQKURTRISA-N
Compound name
[4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.05283 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.06011 211.5
[M+Na]+ 525.04205 217.8
[M-H]- 501.04555 223.9
[M+NH4]+ 520.08665 221.6
[M+K]+ 541.01599 206.4
[M+H-H2O]+ 485.05009 206.0
[M+HCOO]- 547.05103 232.0
[M+CH3COO]- 561.06668 239.4
[M+Na-2H]- 523.02750 215.9
[M]+ 502.05228 231.7
[M]- 502.05338 231.7
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.