CID 45055188

4-(2-(2-(4-bromophenoxy)propanoyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C25H23BrN2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(C)OC3=CC=C(C=C3)Br
InChI
InChI=1S/C25H23BrN2O5/c1-3-31-21-12-6-19(7-13-21)25(30)33-23-10-4-18(5-11-23)16-27-28-24(29)17(2)32-22-14-8-20(26)9-15-22/h4-17H,3H2,1-2H3,(H,28,29)/b27-16+
InChIKey
UPWJPJDWAJUXGG-JVWAILMASA-N
Compound name
[4-[(E)-[2-(4-bromophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.07904 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.08632 212.7
[M+Na]+ 533.06826 218.0
[M-H]- 509.07176 224.4
[M+NH4]+ 528.11286 221.8
[M+K]+ 549.04220 207.7
[M+H-H2O]+ 493.07630 207.0
[M+HCOO]- 555.07724 233.3
[M+CH3COO]- 569.09289 241.5
[M+Na-2H]- 531.05371 213.8
[M]+ 510.07849 234.8
[M]- 510.07959 234.8
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.