CID 51060412

1-(2-(oxo(3-toluidino)acetyl)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C29H25N3O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C(=O)NC4=CC=CC(=C4)C
InChI
InChI=1S/C29H25N3O5/c1-3-36-23-14-11-21(12-15-23)29(35)37-26-16-13-20-8-4-5-10-24(20)25(26)18-30-32-28(34)27(33)31-22-9-6-7-19(2)17-22/h4-18H,3H2,1-2H3,(H,31,33)(H,32,34)/b30-18+
InChIKey
NZADAEKZBXGIQI-UXHLAJHPSA-N
Compound name
[1-[(E)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.1794 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.18668 220.8
[M+Na]+ 518.16862 233.2
[M+NH4]+ 513.21322 225.6
[M+K]+ 534.14256 225.4
[M-H]- 494.17212 227.7
[M+Na-2H]- 516.15407 229.1
[M]+ 495.17885 224.3
[M]- 495.17995 224.3
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.