CID 9672083

769150-89-2

Structural Information

Molecular Formula
C23H19BrN2O4
SMILES
CC1=CC=C(C=C1)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H19BrN2O4/c1-15-3-5-16(6-4-15)22(27)26-25-14-18-13-19(24)9-12-21(18)30-23(28)17-7-10-20(29-2)11-8-17/h3-14H,1-2H3,(H,26,27)/b25-14+
InChIKey
GPNRRJNLNMICPL-AFUMVMLFSA-N
Compound name
[4-bromo-2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
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]+ 467.060106 201.7
[M+Na]+ 489.042048 209.5
[M-H]- 465.045554 214.2
[M+NH4]+ 484.086653 213.1
[M+K]+ 505.015988 198.2
[M+H-H2O]+ 449.050090 196.7
[M+HCOO]- 511.051031 223.8
[M+CH3COO]- 525.066681 234.5
[M+Na-2H]- 487.027496 204.1
[M]+ 466.05228142 223.0
[M]- 466.05337858 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.