CID 45055297

3-(2-((4-bromophenoxy)acetyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C23H19BrN2O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=N/NC(=O)COC3=CC=C(C=C3)Br
InChI
InChI=1S/C23H19BrN2O5/c1-29-19-9-5-17(6-10-19)23(28)31-21-4-2-3-16(13-21)14-25-26-22(27)15-30-20-11-7-18(24)8-12-20/h2-14H,15H2,1H3,(H,26,27)/b25-14+
InChIKey
MPKKPRYMHPFGJP-AFUMVMLFSA-N
Compound name
[3-[(E)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.04773 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.05501 203.5
[M+Na]+ 505.03695 210.1
[M-H]- 481.04045 215.6
[M+NH4]+ 500.08155 213.9
[M+K]+ 521.01089 199.6
[M+H-H2O]+ 465.04499 198.1
[M+HCOO]- 527.04593 225.8
[M+CH3COO]- 541.06158 235.3
[M+Na-2H]- 503.02240 206.8
[M]+ 482.04718 225.6
[M]- 482.04828 225.6
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.