CID 53884

77966-40-6

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)CNC2CCCCC2
InChI
InChI=1S/C15H21ClN2O/c1-11-6-5-9-13(16)15(11)18-14(19)10-17-12-7-3-2-4-8-12/h5-6,9,12,17H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKey
FOUIFOLGWXQKSI-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-(cyclohexylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14153 166.2
[M+Na]+ 303.12347 170.3
[M-H]- 279.12697 171.6
[M+NH4]+ 298.16807 182.1
[M+K]+ 319.09741 165.2
[M+H-H2O]+ 263.13151 159.2
[M+HCOO]- 325.13245 182.8
[M+CH3COO]- 339.14810 203.3
[M+Na-2H]- 301.10892 168.2
[M]+ 280.13370 163.0
[M]- 280.13480 163.0
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.