CID 9631038

4-bromo-2-(2-(1-naphthylacetyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C28H23BrN2O5
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)CC3=CC=CC4=CC=CC=C43)OC
InChI
InChI=1S/C28H23BrN2O5/c1-34-25-12-10-20(15-26(25)35-2)28(33)36-24-13-11-22(29)14-21(24)17-30-31-27(32)16-19-8-5-7-18-6-3-4-9-23(18)19/h3-15,17H,16H2,1-2H3,(H,31,32)/b30-17+
InChIKey
VORKILCFWPYDFL-OCSSWDANSA-N
Compound name
[4-bromo-2-[(E)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.07904 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.08632 223.3
[M+Na]+ 569.06826 229.9
[M-H]- 545.07176 235.8
[M+NH4]+ 564.11286 232.0
[M+K]+ 585.04220 219.2
[M+H-H2O]+ 529.07630 217.1
[M+HCOO]- 591.07724 243.0
[M+CH3COO]- 605.09289 249.2
[M+Na-2H]- 567.05371 225.3
[M]+ 546.07849 246.0
[M]- 546.07959 246.0
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.