CID 9633736

1-(2-((4-ethylanilino)(oxo)acetyl)carbohydrazonoyl)-2-naphthyl 3-methylbenzoate

Structural Information

Molecular Formula
C29H25N3O4
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)C
InChI
InChI=1S/C29H25N3O4/c1-3-20-11-14-23(15-12-20)31-27(33)28(34)32-30-18-25-24-10-5-4-8-21(24)13-16-26(25)36-29(35)22-9-6-7-19(2)17-22/h4-18H,3H2,1-2H3,(H,31,33)(H,32,34)/b30-18+
InChIKey
RIYHKLWAPXCVPS-UXHLAJHPSA-N
Compound name
[1-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.1845 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.19178 217.6
[M+Na]+ 502.17372 221.0
[M-H]- 478.17722 228.4
[M+NH4]+ 497.21832 224.7
[M+K]+ 518.14766 216.5
[M+H-H2O]+ 462.18176 205.4
[M+HCOO]- 524.18270 240.2
[M+CH3COO]- 538.19835 247.6
[M+Na-2H]- 500.15917 219.2
[M]+ 479.18395 219.3
[M]- 479.18505 219.3
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.