CID 3071267

87576-10-1

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
C1CCCN(CC1)CCNC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H23ClN2O2/c17-14-5-7-15(8-6-14)21-13-16(20)18-9-12-19-10-3-1-2-4-11-19/h5-8H,1-4,9-13H2,(H,18,20)
InChIKey
MCRVNHOAPABZCT-UHFFFAOYSA-N
Compound name
N-[2-(azepan-1-yl)ethyl]-2-(4-chlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1448 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.152076 170.2
[M+Na]+ 333.134018 172.9
[M-H]- 309.137524 174.7
[M+NH4]+ 328.178623 182.7
[M+K]+ 349.107958 173.3
[M+H-H2O]+ 293.142060 161.6
[M+HCOO]- 355.143001 184.1
[M+CH3COO]- 369.158651 205.2
[M+Na-2H]- 331.119466 172.1
[M]+ 310.14425142 166.3
[M]- 310.14534858 166.3
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.