CID 3039262

42740-17-0

Structural Information

Molecular Formula
C20H21Cl2NO3
SMILES
C1COCCN1CCC(C2=C(C=C(C=C2)Cl)Cl)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21Cl2NO3/c21-16-6-7-17(18(22)14-16)19(8-9-23-10-12-25-13-11-23)26-20(24)15-4-2-1-3-5-15/h1-7,14,19H,8-13H2
InChIKey
XOAQEJDEDQNWPY-UHFFFAOYSA-N
Compound name
[1-(2,4-dichlorophenyl)-3-morpholin-4-ylpropyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.08984 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.09712 189.8
[M+Na]+ 416.07906 194.6
[M-H]- 392.08256 196.6
[M+NH4]+ 411.12366 198.8
[M+K]+ 432.05300 189.7
[M+H-H2O]+ 376.08710 180.4
[M+HCOO]- 438.08804 196.0
[M+CH3COO]- 452.10369 216.0
[M+Na-2H]- 414.06451 189.8
[M]+ 393.08929 191.9
[M]- 393.09039 191.9
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.