CID 9631185

4-(2-((2-isopropyl-5-me-phenoxy)acetyl)carbohydrazonoyl)ph 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C26H24Cl2N2O4
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C26H24Cl2N2O4/c1-16(2)21-10-4-17(3)12-24(21)33-15-25(31)30-29-14-18-5-8-20(9-6-18)34-26(32)22-11-7-19(27)13-23(22)28/h4-14,16H,15H2,1-3H3,(H,30,31)/b29-14+
InChIKey
VATSACKYLRSPGG-IPPBACCNSA-N
Compound name
[4-[(E)-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.1113 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.11858 218.4
[M+Na]+ 521.10052 225.0
[M-H]- 497.10402 228.5
[M+NH4]+ 516.14512 226.7
[M+K]+ 537.07446 219.1
[M+H-H2O]+ 481.10856 209.1
[M+HCOO]- 543.10950 232.3
[M+CH3COO]- 557.12515 245.6
[M+Na-2H]- 519.08597 215.9
[M]+ 498.11075 227.1
[M]- 498.11185 227.1
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.