CID 9633826

3-(2-(2-(4-(benzyloxy)phenoxy)propanoyl)carbohydrazonoyl)ph 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C30H24Cl2N2O5
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)OCC4=CC=CC=C4
InChI
InChI=1S/C30H24Cl2N2O5/c1-20(38-25-13-11-24(12-14-25)37-19-21-6-3-2-4-7-21)29(35)34-33-18-22-8-5-9-26(16-22)39-30(36)27-15-10-23(31)17-28(27)32/h2-18,20H,19H2,1H3,(H,34,35)/b33-18+
InChIKey
QMDUZGNUCXCCPG-DPNNOFEESA-N
Compound name
[3-[(E)-[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.1062 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.11348 232.2
[M+Na]+ 585.09542 236.8
[M-H]- 561.09892 244.4
[M+NH4]+ 580.14002 236.6
[M+K]+ 601.06936 231.2
[M+H-H2O]+ 545.10346 220.6
[M+HCOO]- 607.10440 245.8
[M+CH3COO]- 621.12005 253.7
[M+Na-2H]- 583.08087 231.1
[M]+ 562.10565 240.6
[M]- 562.10675 240.6
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.