CID 45055311

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

Structural Information

Molecular Formula
C28H23N3O4
SMILES
CC1=CC(=CC=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C(=O)NC4=CC=CC(=C4)C
InChI
InChI=1S/C28H23N3O4/c1-18-7-5-10-21(15-18)28(34)35-25-14-13-20-9-3-4-12-23(20)24(25)17-29-31-27(33)26(32)30-22-11-6-8-19(2)16-22/h3-17H,1-2H3,(H,30,32)(H,31,33)/b29-17+
InChIKey
BAGOXAUTHITOQS-STBIYBPSSA-N
Compound name
[1-[(E)-[[2-(3-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 213.8
[M+Na]+ 488.15807 227.0
[M+NH4]+ 483.20267 219.5
[M+K]+ 504.13201 218.8
[M-H]- 464.16157 221.3
[M+Na-2H]- 486.14352 222.8
[M]+ 465.16830 217.6
[M]- 465.16940 217.6
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.