CID 45055228

2(2(2-((1,1'-bi-ph)-4-yloxy)propanoyl)carbohydrazonoyl)4-br-ph 4-methoxybenzoate

Structural Information

Molecular Formula
C30H25BrN2O5
SMILES
CC(C(=O)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC=C(C=C2)OC)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C30H25BrN2O5/c1-20(37-27-15-8-22(9-16-27)21-6-4-3-5-7-21)29(34)33-32-19-24-18-25(31)12-17-28(24)38-30(35)23-10-13-26(36-2)14-11-23/h3-20H,1-2H3,(H,33,34)/b32-19+
InChIKey
PAVGUXJAALAQFC-BIZUNTBRSA-N
Compound name
[4-bromo-2-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.09467 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.10195 230.2
[M+Na]+ 595.08389 234.6
[M-H]- 571.08739 244.3
[M+NH4]+ 590.12849 236.2
[M+K]+ 611.05783 224.3
[M+H-H2O]+ 555.09193 223.3
[M+HCOO]- 617.09287 249.8
[M+CH3COO]- 631.10852 252.5
[M+Na-2H]- 593.06934 230.2
[M]+ 572.09412 251.2
[M]- 572.09522 251.2
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.