CID 45054699

4-(2-(2-bromobenzoyl)carbohydrazonoyl)-2-methoxyphenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C25H23BrN2O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3Br)OC
InChI
InChI=1S/C25H23BrN2O5/c1-3-14-32-19-11-9-18(10-12-19)25(30)33-22-13-8-17(15-23(22)31-2)16-27-28-24(29)20-6-4-5-7-21(20)26/h4-13,15-16H,3,14H2,1-2H3,(H,28,29)/b27-16+
InChIKey
BLMMWUMLOBYTSC-JVWAILMASA-N
Compound name
[4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.07904 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.08632 212.6
[M+Na]+ 533.06826 219.1
[M-H]- 509.07176 224.6
[M+NH4]+ 528.11286 222.0
[M+K]+ 549.04220 208.2
[M+H-H2O]+ 493.07630 206.8
[M+HCOO]- 555.07724 234.1
[M+CH3COO]- 569.09289 241.9
[M+Na-2H]- 531.05371 214.1
[M]+ 510.07849 235.6
[M]- 510.07959 235.6
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.