CID 51060226

3-(2-((3,4-dimethylphenoxy)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C24H21ClN2O4
SMILES
CC1=C(C=C(C=C1)OCC(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C24H21ClN2O4/c1-16-6-11-21(12-17(16)2)30-15-23(28)27-26-14-18-4-3-5-22(13-18)31-24(29)19-7-9-20(25)10-8-19/h3-14H,15H2,1-2H3,(H,27,28)/b26-14+
InChIKey
AWBYGPYCXCNWEZ-VULFUBBASA-N
Compound name
[3-[(E)-[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.119 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.12628 204.9
[M+Na]+ 459.10822 211.3
[M-H]- 435.11172 215.7
[M+NH4]+ 454.15282 214.8
[M+K]+ 475.08216 206.1
[M+H-H2O]+ 419.11626 194.7
[M+HCOO]- 481.11720 225.4
[M+CH3COO]- 495.13285 234.2
[M+Na-2H]- 457.09367 205.7
[M]+ 436.11845 211.3
[M]- 436.11955 211.3
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.