CID 9639702

4-bromo-2-(2-(1-naphthoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C26H19BrN2O4
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H19BrN2O4/c1-32-21-12-9-18(10-13-21)26(31)33-24-14-11-20(27)15-19(24)16-28-29-25(30)23-8-4-6-17-5-2-3-7-22(17)23/h2-16H,1H3,(H,29,30)/b28-16+
InChIKey
DJBJBUYPENMYQR-LQKURTRISA-N
Compound name
[4-bromo-2-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
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 212.1
[M+Na]+ 525.04205 219.2
[M-H]- 501.04555 224.8
[M+NH4]+ 520.08665 222.5
[M+K]+ 541.01599 207.9
[M+H-H2O]+ 485.05009 206.6
[M+HCOO]- 547.05103 232.5
[M+CH3COO]- 561.06668 240.6
[M+Na-2H]- 523.02750 215.7
[M]+ 502.05228 232.7
[M]- 502.05338 232.7
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.