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]+ 281.141526 166.2
[M+Na]+ 303.123468 170.3
[M-H]- 279.126974 171.6
[M+NH4]+ 298.168073 182.1
[M+K]+ 319.097408 165.2
[M+H-H2O]+ 263.131510 159.2
[M+HCOO]- 325.132451 182.8
[M+CH3COO]- 339.148101 203.3
[M+Na-2H]- 301.108916 168.2
[M]+ 280.13370142 163.0
[M]- 280.13479858 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.