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]+ 311.15208 170.2
[M+Na]+ 333.13402 172.9
[M-H]- 309.13752 174.7
[M+NH4]+ 328.17862 182.7
[M+K]+ 349.10796 173.3
[M+H-H2O]+ 293.14206 161.6
[M+HCOO]- 355.14300 184.1
[M+CH3COO]- 369.15865 205.2
[M+Na-2H]- 331.11947 172.1
[M]+ 310.14425 166.3
[M]- 310.14535 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.