CID 206410

Brn 0561387

Structural Information

Molecular Formula
C15H20Cl2N2O3
SMILES
C1CN(CCOC1)CCNC(=O)COC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H20Cl2N2O3/c16-12-2-3-14(13(17)10-12)22-11-15(20)18-4-6-19-5-1-8-21-9-7-19/h2-3,10H,1,4-9,11H2,(H,18,20)
InChIKey
BBZWEXAAGLXJQC-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.08508 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09236 174.9
[M+Na]+ 369.07430 180.0
[M-H]- 345.07780 179.7
[M+NH4]+ 364.11890 185.8
[M+K]+ 385.04824 181.0
[M+H-H2O]+ 329.08234 166.3
[M+HCOO]- 391.08328 183.8
[M+CH3COO]- 405.09893 209.5
[M+Na-2H]- 367.05975 176.8
[M]+ 346.08453 174.1
[M]- 346.08563 174.1
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.