CID 55542

86746-01-2

Structural Information

Molecular Formula
C15H19Cl3N2O3
SMILES
C1COCCN1CCCNC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C15H19Cl3N2O3/c16-11-8-13(18)14(9-12(11)17)23-10-15(21)19-2-1-3-20-4-6-22-7-5-20/h8-9H,1-7,10H2,(H,19,21)
InChIKey
SRESCCHFXAFQLO-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-2-(2,4,5-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.0461 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.05338 183.6
[M+Na]+ 403.03532 189.4
[M-H]- 379.03882 186.6
[M+NH4]+ 398.07992 193.9
[M+K]+ 419.00926 184.7
[M+H-H2O]+ 363.04336 176.6
[M+HCOO]- 425.04430 186.8
[M+CH3COO]- 439.05995 215.2
[M+Na-2H]- 401.02077 183.7
[M]+ 380.04555 186.7
[M]- 380.04665 186.7
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

patents stripe