CID 9636931

3-(2-(4-((4-methylbenzyl)oxy)benzoyl)carbohydrazonoyl)ph 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C29H22Cl2N2O4
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=CC(=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C29H22Cl2N2O4/c1-19-5-7-20(8-6-19)18-36-24-12-9-22(10-13-24)28(34)33-32-17-21-3-2-4-25(15-21)37-29(35)26-14-11-23(30)16-27(26)31/h2-17H,18H2,1H3,(H,33,34)/b32-17+
InChIKey
CQCBACJRZAJORD-VTNSRFBWSA-N
Compound name
[3-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.09564 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.10292 227.7
[M+Na]+ 555.08486 234.3
[M-H]- 531.08836 240.3
[M+NH4]+ 550.12946 233.9
[M+K]+ 571.05880 227.4
[M+H-H2O]+ 515.09290 216.3
[M+HCOO]- 577.09384 242.4
[M+CH3COO]- 591.10949 249.3
[M+Na-2H]- 553.07031 227.0
[M]+ 532.09509 235.4
[M]- 532.09619 235.4
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.