CID 206409

Brn 0550550

Structural Information

Molecular Formula
C15H21ClN2O3
SMILES
C1CN(CCOC1)CCNC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H21ClN2O3/c16-13-2-4-14(5-3-13)21-12-15(19)17-6-8-18-7-1-10-20-11-9-18/h2-5H,1,6-12H2,(H,17,19)
InChIKey
SQQNZSRTQBADGY-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-[2-(1,4-oxazepan-4-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12408 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13136 169.2
[M+Na]+ 335.11330 172.3
[M-H]- 311.11680 174.5
[M+NH4]+ 330.15790 180.4
[M+K]+ 351.08724 174.4
[M+H-H2O]+ 295.12134 160.4
[M+HCOO]- 357.12228 182.8
[M+CH3COO]- 371.13793 204.4
[M+Na-2H]- 333.09875 172.4
[M]+ 312.12353 166.9
[M]- 312.12463 166.9
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.