CID 45055191

4-(2-(((1-bromo-2-naphthyl)oxy)acetyl)carbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C26H18Br2N2O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Br
InChI
InChI=1S/C26H18Br2N2O4/c27-22-8-4-3-7-21(22)26(32)34-19-12-9-17(10-13-19)15-29-30-24(31)16-33-23-14-11-18-5-1-2-6-20(18)25(23)28/h1-15H,16H2,(H,30,31)/b29-15+
InChIKey
LONXTALWLVFIIO-WKULSOCRSA-N
Compound name
[4-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.9633 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.97058 207.8
[M+Na]+ 602.95252 213.0
[M-H]- 578.95602 219.0
[M+NH4]+ 597.99712 216.9
[M+K]+ 618.92646 198.9
[M+H-H2O]+ 562.96056 211.1
[M+HCOO]- 624.96150 222.5
[M+CH3COO]- 638.97715 247.0
[M+Na-2H]- 600.93797 210.7
[M]+ 579.96275 242.7
[M]- 579.96385 242.7
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.