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]+ 437.126276 204.9
[M+Na]+ 459.108218 211.3
[M-H]- 435.111724 215.7
[M+NH4]+ 454.152823 214.8
[M+K]+ 475.082158 206.1
[M+H-H2O]+ 419.116260 194.7
[M+HCOO]- 481.117201 225.4
[M+CH3COO]- 495.132851 234.2
[M+Na-2H]- 457.093666 205.7
[M]+ 436.11845142 211.3
[M]- 436.11954858 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.