CID 137700072

C1x8mf00m5

Structural Information

Molecular Formula
C17H24Cl2N2O
SMILES
CN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H24Cl2N2O/c1-20(2)15-6-4-5-7-16(15)21(3)17(22)10-12-8-9-13(18)11-14(12)19/h8-9,11,15-16H,4-7,10H2,1-3H3/t15-,16-/m0/s1
InChIKey
FKUWIGXXBMULOI-HOTGVXAUSA-N
Compound name
2-(2,4-dichlorophenyl)-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

342.12656 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13384 181.4
[M+Na]+ 365.11578 186.3
[M-H]- 341.11928 189.0
[M+NH4]+ 360.16038 196.9
[M+K]+ 381.08972 182.2
[M+H-H2O]+ 325.12382 174.7
[M+HCOO]- 387.12476 193.3
[M+CH3COO]- 401.14041 221.3
[M+Na-2H]- 363.10123 179.5
[M]+ 342.12601 183.3
[M]- 342.12711 183.3
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

patents stripe