CID 51060509

1-(2-((4-ethylanilino)(oxo)acetyl)carbohydrazonoyl)-2-naphthyl benzoate

Structural Information

Molecular Formula
C28H23N3O4
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H23N3O4/c1-2-19-12-15-22(16-13-19)30-26(32)27(33)31-29-18-24-23-11-7-6-8-20(23)14-17-25(24)35-28(34)21-9-4-3-5-10-21/h3-18H,2H2,1H3,(H,30,32)(H,31,33)/b29-18+
InChIKey
YRUMNSYJOMDSBX-RDRPBHBLSA-N
Compound name
[1-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.16885 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.176126 212.3
[M+Na]+ 488.158068 215.2
[M-H]- 464.161574 222.9
[M+NH4]+ 483.202673 219.7
[M+K]+ 504.132008 210.8
[M+H-H2O]+ 448.166110 200.2
[M+HCOO]- 510.167051 235.3
[M+CH3COO]- 524.182701 243.4
[M+Na-2H]- 486.143516 215.2
[M]+ 465.16830142 213.3
[M]- 465.16939858 213.3
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.