CID 9637153

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

Structural Information

Molecular Formula
C27H21BrN2O4
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H21BrN2O4/c1-33-23-12-9-19(10-13-23)27(32)34-25-14-11-22(28)15-21(25)17-29-30-26(31)16-20-7-4-6-18-5-2-3-8-24(18)20/h2-15,17H,16H2,1H3,(H,30,31)/b29-17+
InChIKey
DTNHLTPWUVSIRB-STBIYBPSSA-N
Compound name
[4-bromo-2-[(E)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.0685 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.07578 210.4
[M+Na]+ 539.05772 215.4
[M+NH4]+ 534.10232 213.5
[M+K]+ 555.03166 212.6
[M-H]- 515.06122 215.7
[M+Na-2H]- 537.04317 216.1
[M]+ 516.06795 211.5
[M]- 516.06905 211.5
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.