CID 51060357

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

Structural Information

Molecular Formula
C27H20ClN3O4
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)Cl
InChI
InChI=1S/C27H20ClN3O4/c1-17-5-4-7-21(15-17)30-25(32)26(33)31-29-16-23-22-8-3-2-6-18(22)11-14-24(23)35-27(34)19-9-12-20(28)13-10-19/h2-16H,1H3,(H,30,32)(H,31,33)/b29-16+
InChIKey
BOIPFXLXOIVSJQ-MUFRIFMGSA-N
Compound name
[1-[(E)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.11423 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.12151 215.8
[M+Na]+ 508.10345 221.1
[M-H]- 484.10695 227.0
[M+NH4]+ 503.14805 223.8
[M+K]+ 524.07739 215.6
[M+H-H2O]+ 468.11149 205.0
[M+HCOO]- 530.11243 234.9
[M+CH3COO]- 544.12808 245.1
[M+Na-2H]- 506.08890 218.0
[M]+ 485.11368 220.0
[M]- 485.11478 220.0
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.