CID 9631906

4-bromo-2-(2-(3-hydroxy-2-naphthoyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C28H23BrN2O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC4=CC=CC=C4C=C3O
InChI
InChI=1S/C28H23BrN2O5/c1-2-13-35-23-10-7-18(8-11-23)28(34)36-26-12-9-22(29)14-21(26)17-30-31-27(33)24-15-19-5-3-4-6-20(19)16-25(24)32/h3-12,14-17,32H,2,13H2,1H3,(H,31,33)/b30-17+
InChIKey
BXVOSQRIGCZHCJ-OCSSWDANSA-N
Compound name
[4-bromo-2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.07904 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.08632 218.7
[M+Na]+ 569.06826 222.8
[M+NH4]+ 564.11286 220.8
[M+K]+ 585.04220 220.6
[M-H]- 545.07176 223.1
[M+Na-2H]- 567.05371 223.0
[M]+ 546.07849 219.3
[M]- 546.07959 219.3
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.