CID 45054350

1-(2-(((1-br-2-naphthyl)oxy)acetyl)carbohydrazonoyl)-2-naphthyl 4-methylbenzoate

Structural Information

Molecular Formula
C31H23BrN2O4
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)COC4=C(C5=CC=CC=C5C=C4)Br
InChI
InChI=1S/C31H23BrN2O4/c1-20-10-12-23(13-11-20)31(36)38-27-16-14-21-6-2-4-8-24(21)26(27)18-33-34-29(35)19-37-28-17-15-22-7-3-5-9-25(22)30(28)32/h2-18H,19H2,1H3,(H,34,35)/b33-18+
InChIKey
LHKLXGQPDSNLMN-DPNNOFEESA-N
Compound name
[1-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.0841 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.09138 223.1
[M+Na]+ 589.07332 230.1
[M+NH4]+ 584.11792 226.7
[M+K]+ 605.04726 225.8
[M-H]- 565.07682 229.5
[M+Na-2H]- 587.05877 229.4
[M]+ 566.08355 225.0
[M]- 566.08465 225.0
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.