CID 45054427

3-(2-(1-naphthylacetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C26H18Cl2N2O3
SMILES
C1=CC=C2C(=C1)C=CC=C2CC(=O)N/N=C/C3=CC(=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C26H18Cl2N2O3/c27-20-11-12-23(24(28)15-20)26(32)33-21-9-3-5-17(13-21)16-29-30-25(31)14-19-8-4-7-18-6-1-2-10-22(18)19/h1-13,15-16H,14H2,(H,30,31)/b29-16+
InChIKey
SPFJGLHCHAIRKU-MUFRIFMGSA-N
Compound name
[3-[(E)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.06946 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.07674 212.2
[M+Na]+ 499.05868 219.6
[M-H]- 475.06218 222.6
[M+NH4]+ 494.10328 221.8
[M+K]+ 515.03262 212.1
[M+H-H2O]+ 459.06672 202.3
[M+HCOO]- 521.06766 226.3
[M+CH3COO]- 535.08331 220.7
[M+Na-2H]- 497.04413 214.3
[M]+ 476.06891 218.4
[M]- 476.07001 218.4
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.