CID 51060330

1-(2-((3-methylphenoxy)acetyl)carbohydrazonoyl)-2-naphthyl 4-chlorobenzoate

Structural Information

Molecular Formula
C27H21ClN2O4
SMILES
CC1=CC(=CC=C1)OCC(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H21ClN2O4/c1-18-5-4-7-22(15-18)33-17-26(31)30-29-16-24-23-8-3-2-6-19(23)11-14-25(24)34-27(32)20-9-12-21(28)13-10-20/h2-16H,17H2,1H3,(H,30,31)/b29-16+
InChIKey
MBVJIXIPJFWYGX-MUFRIFMGSA-N
Compound name
[1-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.119 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.12628 213.6
[M+Na]+ 495.10822 219.7
[M-H]- 471.11172 224.7
[M+NH4]+ 490.15282 222.5
[M+K]+ 511.08216 213.8
[M+H-H2O]+ 455.11626 202.5
[M+HCOO]- 517.11720 232.4
[M+CH3COO]- 531.13285 240.8
[M+Na-2H]- 493.09367 216.1
[M]+ 472.11845 219.6
[M]- 472.11955 219.6
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.