CID 710480

N-cycloheptyl-2-phenylacetamide

Structural Information

Molecular Formula
C15H21NO
SMILES
C1CCCC(CC1)NC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C15H21NO/c17-15(12-13-8-4-3-5-9-13)16-14-10-6-1-2-7-11-14/h3-5,8-9,14H,1-2,6-7,10-12H2,(H,16,17)
InChIKey
IKDDAVDBEXNFOZ-UHFFFAOYSA-N
Compound name
N-cycloheptyl-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

231.16231 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 152.8
[M+Na]+ 254.151528 153.6
[M-H]- 230.155034 158.9
[M+NH4]+ 249.196133 168.5
[M+K]+ 270.125468 155.2
[M+H-H2O]+ 214.159570 146.3
[M+HCOO]- 276.160511 172.3
[M+CH3COO]- 290.176161 193.4
[M+Na-2H]- 252.136976 156.1
[M]+ 231.16176142 144.4
[M]- 231.16285858 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe