CID 45055233

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

Structural Information

Molecular Formula
C31H27BrN2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(C)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C31H27BrN2O5/c1-3-37-27-14-11-24(12-15-27)31(36)39-29-18-13-26(32)19-25(29)20-33-34-30(35)21(2)38-28-16-9-23(10-17-28)22-7-5-4-6-8-22/h4-21H,3H2,1-2H3,(H,34,35)/b33-20+
InChIKey
ICNAPGDFUIVVEW-FMFFXOCNSA-N
Compound name
[4-bromo-2-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.11035 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.11763 234.5
[M+Na]+ 609.09957 238.5
[M-H]- 585.10307 248.3
[M+NH4]+ 604.14417 239.9
[M+K]+ 625.07351 228.0
[M+H-H2O]+ 569.10761 227.3
[M+HCOO]- 631.10855 253.7
[M+CH3COO]- 645.12420 255.0
[M+Na-2H]- 607.08502 234.0
[M]+ 586.10980 255.7
[M]- 586.11090 255.7
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.