CID 9662049

4-bromo-2-(2-(3-pyridinylcarbonyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C21H16BrN3O4
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CN=CC=C3
InChI
InChI=1S/C21H16BrN3O4/c1-28-18-7-4-14(5-8-18)21(27)29-19-9-6-17(22)11-16(19)13-24-25-20(26)15-3-2-10-23-12-15/h2-13H,1H3,(H,25,26)/b24-13+
InChIKey
NBAXURCWHWGOSU-ZMOGYAJESA-N
Compound name
[4-bromo-2-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.0324 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.03968 192.9
[M+Na]+ 476.02162 196.9
[M+NH4]+ 471.06622 195.2
[M+K]+ 491.99556 196.0
[M-H]- 452.02512 196.6
[M+Na-2H]- 474.00707 198.9
[M]+ 453.03185 193.3
[M]- 453.03295 193.3
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.