CID 9623657

4-bromo-2-(2-(3-methylbenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C22H16BrClN2O3
SMILES
CC1=CC(=CC=C1)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H16BrClN2O3/c1-14-3-2-4-16(11-14)21(27)26-25-13-17-12-18(23)7-10-20(17)29-22(28)15-5-8-19(24)9-6-15/h2-13H,1H3,(H,26,27)/b25-13+
InChIKey
RXINOUYHAQOHAI-DHRITJCHSA-N
Compound name
[4-bromo-2-[(E)-[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.00327 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.01055 200.6
[M+Na]+ 492.99249 210.3
[M-H]- 468.99599 213.3
[M+NH4]+ 488.03709 213.1
[M+K]+ 508.96643 196.7
[M+H-H2O]+ 453.00053 196.9
[M+HCOO]- 515.00147 218.7
[M+CH3COO]- 529.01712 232.9
[M+Na-2H]- 490.97794 203.1
[M]+ 470.00272 222.9
[M]- 470.00382 222.9
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.