CID 45054747

1-(2-(1-naphthylacetyl)carbohydrazonoyl)-2-naphthyl 3-methylbenzoate

Structural Information

Molecular Formula
C31H24N2O3
SMILES
CC1=CC(=CC=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)CC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C31H24N2O3/c1-21-8-6-13-25(18-21)31(35)36-29-17-16-23-10-3-5-15-27(23)28(29)20-32-33-30(34)19-24-12-7-11-22-9-2-4-14-26(22)24/h2-18,20H,19H2,1H3,(H,33,34)/b32-20+
InChIKey
DZBIZQKZWAYECQ-UZWMFBFFSA-N
Compound name
[1-[(E)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.17868 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.18596 217.7
[M+Na]+ 495.16790 235.1
[M+NH4]+ 490.21250 225.6
[M+K]+ 511.14184 223.6
[M-H]- 471.17140 227.2
[M+Na-2H]- 493.15335 229.0
[M]+ 472.17813 223.2
[M]- 472.17923 223.2
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.