CID 3088910

Sr 44539 a

Structural Information

Molecular Formula
C21H21Cl4NO3
SMILES
C1COCCN1CCC(COC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H21Cl4NO3/c22-15-1-3-17(19(24)11-15)14(5-6-26-7-9-28-10-8-26)13-29-21(27)18-4-2-16(23)12-20(18)25/h1-4,11-12,14H,5-10,13H2
InChIKey
JEWFZCCYOSNQMN-UHFFFAOYSA-N
Compound name
[2-(2,4-dichlorophenyl)-4-morpholin-4-ylbutyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.02756 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.03484 202.3
[M+Na]+ 498.01678 207.9
[M-H]- 474.02028 206.4
[M+NH4]+ 493.06138 208.8
[M+K]+ 513.99072 202.7
[M+H-H2O]+ 458.02482 194.1
[M+HCOO]- 520.02576 197.6
[M+CH3COO]- 534.04141 229.6
[M+Na-2H]- 496.00223 198.5
[M]+ 475.02701 205.4
[M]- 475.02811 205.4
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.