CID 9625311

4-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-bromobenzoate

Structural Information

Molecular Formula
C26H18BrN3O4
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C26H18BrN3O4/c27-20-12-10-19(11-13-20)26(33)34-21-14-8-17(9-15-21)16-28-30-25(32)24(31)29-23-7-3-5-18-4-1-2-6-22(18)23/h1-16H,(H,29,31)(H,30,32)/b28-16+
InChIKey
DXYIOHUBNZKBEA-LQKURTRISA-N
Compound name
[4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.0481 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.05538 212.4
[M+Na]+ 538.03732 217.7
[M-H]- 514.04082 224.7
[M+NH4]+ 533.08192 221.5
[M+K]+ 554.01126 206.4
[M+H-H2O]+ 498.04536 206.6
[M+HCOO]- 560.04630 233.0
[M+CH3COO]- 574.06195 243.4
[M+Na-2H]- 536.02277 216.5
[M]+ 515.04755 230.6
[M]- 515.04865 230.6
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.