CID 51060180

1-(2-(((1-bromo-2-naphthyl)oxy)acetyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C32H25BrN2O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)COC4=C(C5=CC=CC=C5C=C4)Br)OC
InChI
InChI=1S/C32H25BrN2O6/c1-38-27-15-13-22(17-29(27)39-2)32(37)41-26-14-11-20-7-3-5-9-23(20)25(26)18-34-35-30(36)19-40-28-16-12-21-8-4-6-10-24(21)31(28)33/h3-18H,19H2,1-2H3,(H,35,36)/b34-18+
InChIKey
ZWGDJPIZQHTWAG-FABQOPTDSA-N
Compound name
[1-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

612.0896 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.09688 239.8
[M+Na]+ 635.07882 246.2
[M-H]- 611.08232 252.9
[M+NH4]+ 630.12342 246.3
[M+K]+ 651.05276 236.6
[M+H-H2O]+ 595.08686 232.3
[M+HCOO]- 657.08780 258.5
[M+CH3COO]- 671.10345 260.6
[M+Na-2H]- 633.06427 242.8
[M]+ 612.08905 264.5
[M]- 612.09015 264.5
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.