CID 9631295

1-(2-((1-naphthylamino)(oxo)ac)carbohydrazonoyl)-2-naphthyl 4-methoxybenzoate

Structural Information

Molecular Formula
C31H23N3O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C(=O)NC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C31H23N3O5/c1-38-23-16-13-22(14-17-23)31(37)39-28-18-15-21-8-2-4-10-24(21)26(28)19-32-34-30(36)29(35)33-27-12-6-9-20-7-3-5-11-25(20)27/h2-19H,1H3,(H,33,35)(H,34,36)/b32-19+
InChIKey
ZDISZDJNSAPBAP-BIZUNTBRSA-N
Compound name
[1-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.16376 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.17104 224.9
[M+Na]+ 540.15298 239.6
[M+NH4]+ 535.19758 230.7
[M+K]+ 556.12692 230.4
[M-H]- 516.15648 233.2
[M+Na-2H]- 538.13843 234.6
[M]+ 517.16321 229.3
[M]- 517.16431 229.3
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.