CID 45055335

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

Structural Information

Molecular Formula
C28H23N3O5
SMILES
CC1=CC(=CC=C1)NC(=O)C(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C28H23N3O5/c1-18-6-5-8-21(16-18)30-26(32)27(33)31-29-17-24-23-9-4-3-7-19(23)12-15-25(24)36-28(34)20-10-13-22(35-2)14-11-20/h3-17H,1-2H3,(H,30,32)(H,31,33)/b29-17+
InChIKey
HRUQYBJSTWOWFV-STBIYBPSSA-N
Compound name
[1-[(E)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.16376 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.17104 215.5
[M+Na]+ 504.15298 219.0
[M-H]- 480.15648 226.6
[M+NH4]+ 499.19758 222.4
[M+K]+ 520.12692 215.7
[M+H-H2O]+ 464.16102 203.3
[M+HCOO]- 526.16196 238.6
[M+CH3COO]- 540.17761 246.9
[M+Na-2H]- 502.13843 217.9
[M]+ 481.16321 218.3
[M]- 481.16431 218.3
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.