CID 9687657

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

Structural Information

Molecular Formula
C27H21N3O4
SMILES
CC1=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/C27H21N3O4/c1-18-9-13-21(14-10-18)29-25(31)26(32)30-28-17-19-11-15-22(16-12-19)34-27(33)24-8-4-6-20-5-2-3-7-23(20)24/h2-17H,1H3,(H,29,31)(H,30,32)/b28-17+
InChIKey
REFIDENGCQPRTK-OGLMXYFKSA-N
Compound name
[4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.1532 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.16048 209.3
[M+Na]+ 474.14242 222.3
[M+NH4]+ 469.18702 215.1
[M+K]+ 490.11636 214.1
[M-H]- 450.14592 216.7
[M+Na-2H]- 472.12787 218.7
[M]+ 451.15265 213.0
[M]- 451.15375 213.0
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.