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 219.8
[M+Na]+ 518.16862 222.9
[M-H]- 494.17212 230.7
[M+NH4]+ 513.21322 226.2
[M+K]+ 534.14256 219.4
[M+H-H2O]+ 478.17666 207.4
[M+HCOO]- 540.17760 242.6
[M+CH3COO]- 554.19325 249.8
[M+Na-2H]- 516.15407 221.7
[M]+ 495.17885 223.0
[M]- 495.17995 223.0
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.