CID 9655820

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

Structural Information

Molecular Formula
C23H19BrN2O4
SMILES
CC1=CC(=CC=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC
InChI
InChI=1S/C23H19BrN2O4/c1-15-5-3-6-17(11-15)22(27)26-25-14-16-9-10-20(21(12-16)29-2)30-23(28)18-7-4-8-19(24)13-18/h3-14H,1-2H3,(H,26,27)/b25-14+
InChIKey
JBOBMFLNVNEOAB-AFUMVMLFSA-N
Compound name
[2-methoxy-4-[(E)-[(3-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 201.7
[M+Na]+ 489.04205 209.5
[M-H]- 465.04555 214.2
[M+NH4]+ 484.08665 213.1
[M+K]+ 505.01599 198.2
[M+H-H2O]+ 449.05009 196.7
[M+HCOO]- 511.05103 223.8
[M+CH3COO]- 525.06668 234.5
[M+Na-2H]- 487.02750 204.1
[M]+ 466.05228 223.0
[M]- 466.05338 223.0
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.