CID 9638042

4-(2-(1-naphthoyl)carbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C25H17BrN2O3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Br
InChI
InChI=1S/C25H17BrN2O3/c26-23-11-4-3-9-22(23)25(30)31-19-14-12-17(13-15-19)16-27-28-24(29)21-10-5-7-18-6-1-2-8-20(18)21/h1-16H,(H,28,29)/b27-16+
InChIKey
CNJQSXIEOLANAA-JVWAILMASA-N
Compound name
[4-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.04224 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.04952 205.0
[M+Na]+ 495.03146 212.2
[M-H]- 471.03496 217.7
[M+NH4]+ 490.07606 216.5
[M+K]+ 511.00540 200.1
[M+H-H2O]+ 455.03950 200.1
[M+HCOO]- 517.04044 225.8
[M+CH3COO]- 531.05609 215.3
[M+Na-2H]- 493.01691 209.8
[M]+ 472.04169 223.8
[M]- 472.04279 223.8
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.