CID 9636306

4-bromo-2-(2-(2-bromobenzoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C22H16Br2N2O4
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=CC=C3Br
InChI
InChI=1S/C22H16Br2N2O4/c1-29-17-9-6-14(7-10-17)22(28)30-20-11-8-16(23)12-15(20)13-25-26-21(27)18-4-2-3-5-19(18)24/h2-13H,1H3,(H,26,27)/b25-13+
InChIKey
VKNAFFDAMZHAAE-DHRITJCHSA-N
Compound name
[4-bromo-2-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.9477 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.95498 194.2
[M+Na]+ 552.93692 200.6
[M-H]- 528.94042 205.4
[M+NH4]+ 547.98152 204.6
[M+K]+ 568.91086 185.9
[M+H-H2O]+ 512.94496 197.7
[M+HCOO]- 574.94590 210.5
[M+CH3COO]- 588.96155 240.0
[M+Na-2H]- 550.92237 196.7
[M]+ 529.94715 229.6
[M]- 529.94825 229.6
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.