CID 9631864

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

Structural Information

Molecular Formula
C28H23N3O4
SMILES
CC1=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/C28H23N3O4/c1-18-10-13-22(14-11-18)30-26(32)27(33)31-29-17-24-23-9-4-3-7-20(23)12-15-25(24)35-28(34)21-8-5-6-19(2)16-21/h3-17H,1-2H3,(H,30,32)(H,31,33)/b29-17+
InChIKey
IIMHGMHWNISSBS-STBIYBPSSA-N
Compound name
[1-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.16885 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.17613 213.2
[M+Na]+ 488.15807 217.1
[M-H]- 464.16157 224.3
[M+NH4]+ 483.20267 221.0
[M+K]+ 504.13201 212.8
[M+H-H2O]+ 448.16611 201.3
[M+HCOO]- 510.16705 236.2
[M+CH3COO]- 524.18270 244.7
[M+Na-2H]- 486.14352 215.3
[M]+ 465.16830 214.7
[M]- 465.16940 214.7
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.