CID 9658919

1-(2-(((4-ethoxybenzoyl)amino)ac)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C31H29N3O6
SMILES
CCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)OCC
InChI
InChI=1S/C31H29N3O6/c1-3-38-24-14-9-22(10-15-24)30(36)32-20-29(35)34-33-19-27-26-8-6-5-7-21(26)13-18-28(27)40-31(37)23-11-16-25(17-12-23)39-4-2/h5-19H,3-4,20H2,1-2H3,(H,32,36)(H,34,35)/b33-19+
InChIKey
VGBPFIFODXRCCA-HNSNBQBZSA-N
Compound name
[1-[(E)-[[2-[(4-ethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.2056 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.21288 230.1
[M+Na]+ 562.19482 231.7
[M-H]- 538.19832 240.4
[M+NH4]+ 557.23942 234.3
[M+K]+ 578.16876 228.9
[M+H-H2O]+ 522.20286 217.0
[M+HCOO]- 584.20380 252.2
[M+CH3COO]- 598.21945 258.2
[M+Na-2H]- 560.18027 231.3
[M]+ 539.20505 235.2
[M]- 539.20615 235.2
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.