CID 9639630

1-(2-(1-naphthylacetyl)carbohydrazonoyl)-2-naphthyl 4-methoxybenzoate

Structural Information

Molecular Formula
C31H24N2O4
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)CC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C31H24N2O4/c1-36-25-16-13-23(14-17-25)31(35)37-29-18-15-22-8-3-5-12-27(22)28(29)20-32-33-30(34)19-24-10-6-9-21-7-2-4-11-26(21)24/h2-18,20H,19H2,1H3,(H,33,34)/b32-20+
InChIKey
OTICMCUPBXQVJP-UZWMFBFFSA-N
Compound name
[1-[(E)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.1736 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.18088 219.4
[M+Na]+ 511.16282 224.5
[M-H]- 487.16632 231.0
[M+NH4]+ 506.20742 227.1
[M+K]+ 527.13676 219.0
[M+H-H2O]+ 471.17086 206.2
[M+HCOO]- 533.17180 241.6
[M+CH3COO]- 547.18745 227.2
[M+Na-2H]- 509.14827 224.1
[M]+ 488.17305 223.4
[M]- 488.17415 223.4
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.