CID 9599480

4-(2-((4-chlorophenoxy)acetyl)carbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C22H16BrClN2O4
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC=C(C=C3)Cl)Br
InChI
InChI=1S/C22H16BrClN2O4/c23-20-4-2-1-3-19(20)22(28)30-18-9-5-15(6-10-18)13-25-26-21(27)14-29-17-11-7-16(24)8-12-17/h1-13H,14H2,(H,26,27)/b25-13+
InChIKey
PQADXOWNXRCFNC-DHRITJCHSA-N
Compound name
[4-[(E)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.9982 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.00548 202.3
[M+Na]+ 508.98742 210.9
[M-H]- 484.99092 214.7
[M+NH4]+ 504.03202 213.8
[M+K]+ 524.96136 198.1
[M+H-H2O]+ 468.99546 198.3
[M+HCOO]- 530.99640 220.7
[M+CH3COO]- 545.01205 233.7
[M+Na-2H]- 506.97287 205.8
[M]+ 485.99765 225.5
[M]- 485.99875 225.5
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.