CID 2794916

2-chloro-n-cyclohexyl-n-phenylacetamide

Structural Information

Molecular Formula
C14H18ClNO
SMILES
C1CCC(CC1)N(C2=CC=CC=C2)C(=O)CCl
InChI
InChI=1S/C14H18ClNO/c15-11-14(17)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKey
WDAVIQBJLVXQGA-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclohexyl-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

13
Patents

251.1077 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.114976 157.8
[M+Na]+ 274.096918 161.4
[M-H]- 250.100424 164.2
[M+NH4]+ 269.141523 175.3
[M+K]+ 290.070858 157.9
[M+H-H2O]+ 234.104960 150.6
[M+HCOO]- 296.105901 174.2
[M+CH3COO]- 310.121551 196.5
[M+Na-2H]- 272.082366 160.6
[M]+ 251.10715142 155.3
[M]- 251.10824858 155.3
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