CID 55540

86746-00-1

Structural Information

Molecular Formula
C14H17Cl3N2O3
SMILES
C1COCCN1CCNC(=O)COC2=C(C=CC(=C2Cl)Cl)Cl
InChI
InChI=1S/C14H17Cl3N2O3/c15-10-1-2-11(16)14(13(10)17)22-9-12(20)18-3-4-19-5-7-21-8-6-19/h1-2H,3-9H2,(H,18,20)
InChIKey
GXIYJQYPORTAQC-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-2-(2,3,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0305 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.03778 179.2
[M+Na]+ 389.01972 185.4
[M-H]- 365.02322 182.4
[M+NH4]+ 384.06432 190.1
[M+K]+ 404.99366 181.0
[M+H-H2O]+ 349.02776 172.4
[M+HCOO]- 411.02870 182.7
[M+CH3COO]- 425.04435 212.4
[M+Na-2H]- 387.00517 179.8
[M]+ 366.02995 182.0
[M]- 366.03105 182.0
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.