CID 9632905

4-(2-((4-ethylanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 1-naphthoate

Structural Information

Molecular Formula
C28H23N3O4
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C28H23N3O4/c1-2-19-10-14-22(15-11-19)30-26(32)27(33)31-29-18-20-12-16-23(17-13-20)35-28(34)25-9-5-7-21-6-3-4-8-24(21)25/h3-18H,2H2,1H3,(H,30,32)(H,31,33)/b29-18+
InChIKey
KHUZXKWKQRRXHH-RDRPBHBLSA-N
Compound name
[4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
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]+ 466.17613 212.3
[M+Na]+ 488.15807 215.2
[M-H]- 464.16157 222.9
[M+NH4]+ 483.20267 219.7
[M+K]+ 504.13201 210.8
[M+H-H2O]+ 448.16611 200.2
[M+HCOO]- 510.16705 235.3
[M+CH3COO]- 524.18270 243.4
[M+Na-2H]- 486.14352 215.2
[M]+ 465.16830 213.3
[M]- 465.16940 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.