CID 9671377

2-methoxy-4-(2-(4-methylbenzoyl)carbohydrazonoyl)phenyl 3-bromobenzoate

Structural Information

Molecular Formula
C23H19BrN2O4
SMILES
CC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC
InChI
InChI=1S/C23H19BrN2O4/c1-15-6-9-17(10-7-15)22(27)26-25-14-16-8-11-20(21(12-16)29-2)30-23(28)18-4-3-5-19(24)13-18/h3-14H,1-2H3,(H,26,27)/b25-14+
InChIKey
OHYXWCZFRGQKHK-AFUMVMLFSA-N
Compound name
[2-methoxy-4-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.05283 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.06011 197.6
[M+Na]+ 489.04205 201.7
[M+NH4]+ 484.08665 200.2
[M+K]+ 505.01599 200.3
[M-H]- 465.04555 202.0
[M+Na-2H]- 487.02750 203.2
[M]+ 466.05228 198.2
[M]- 466.05338 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.