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]+ 347.092356 174.9
[M+Na]+ 369.074298 180.0
[M-H]- 345.077804 179.7
[M+NH4]+ 364.118903 185.8
[M+K]+ 385.048238 181.0
[M+H-H2O]+ 329.082340 166.3
[M+HCOO]- 391.083281 183.8
[M+CH3COO]- 405.098931 209.5
[M+Na-2H]- 367.059746 176.8
[M]+ 346.08453142 174.1
[M]- 346.08562858 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.