CID 9636563

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

Structural Information

Molecular Formula
C27H21BrN2O4
SMILES
CCOC1=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/C27H21BrN2O4/c1-2-33-22-13-10-19(11-14-22)27(32)34-25-15-12-21(28)16-20(25)17-29-30-26(31)24-9-5-7-18-6-3-4-8-23(18)24/h3-17H,2H2,1H3,(H,30,31)/b29-17+
InChIKey
MAZNAAJWRTXPNE-STBIYBPSSA-N
Compound name
[4-bromo-2-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.0685 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.07578 216.5
[M+Na]+ 539.05772 223.2
[M-H]- 515.06122 229.0
[M+NH4]+ 534.10232 226.3
[M+K]+ 555.03166 211.7
[M+H-H2O]+ 499.06576 210.8
[M+HCOO]- 561.06670 236.6
[M+CH3COO]- 575.08235 243.3
[M+Na-2H]- 537.04317 219.6
[M]+ 516.06795 237.4
[M]- 516.06905 237.4
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.