CID 3071302

Acetamide, 2-(4-chlorophenoxy)-n-(3-(hexahydro-1h-azepin-1-yl)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H25ClN2O2
SMILES
C1CCCN(CC1)CCCNC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H25ClN2O2/c18-15-6-8-16(9-7-15)22-14-17(21)19-10-5-13-20-11-3-1-2-4-12-20/h6-9H,1-5,10-14H2,(H,19,21)
InChIKey
JFPIUILHYYOYEH-UHFFFAOYSA-N
Compound name
N-[3-(azepan-1-yl)propyl]-2-(4-chlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16046 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16774 174.4
[M+Na]+ 347.14968 176.8
[M-H]- 323.15318 178.8
[M+NH4]+ 342.19428 186.5
[M+K]+ 363.12362 177.0
[M+H-H2O]+ 307.15772 165.6
[M+HCOO]- 369.15866 188.1
[M+CH3COO]- 383.17431 208.0
[M+Na-2H]- 345.13513 175.9
[M]+ 324.15991 170.9
[M]- 324.16101 170.9
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.