CID 45055196

3-(2-(2-((1,1'-bi-ph)-4-yloxy)propanoyl)carbohydrazonoyl)ph 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C29H22Cl2N2O4
SMILES
CC(C(=O)N/N=C/C1=CC(=CC=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H22Cl2N2O4/c1-19(36-24-13-10-22(11-14-24)21-7-3-2-4-8-21)28(34)33-32-18-20-6-5-9-25(16-20)37-29(35)26-15-12-23(30)17-27(26)31/h2-19H,1H3,(H,33,34)/b32-18+
InChIKey
QOSHPLITCDRQHC-KCSSXMTESA-N
Compound name
[3-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.09564 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.10292 226.2
[M+Na]+ 555.08486 231.5
[M-H]- 531.08836 238.5
[M+NH4]+ 550.12946 231.9
[M+K]+ 571.05880 225.1
[M+H-H2O]+ 515.09290 214.9
[M+HCOO]- 577.09384 240.0
[M+CH3COO]- 591.10949 248.9
[M+Na-2H]- 553.07031 225.2
[M]+ 532.09509 233.0
[M]- 532.09619 233.0
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.