CID 71719125

Pinky

Structural Information

Molecular Formula
C16H22Cl2N2O
SMILES
CN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m0/s1
InChIKey
JGPNMZWFVRQNGU-GJZGRUSLSA-N
Compound name
3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

56
References

54
Patents

328.11093 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.118206 176.8
[M+Na]+ 351.100148 182.1
[M-H]- 327.103654 184.6
[M+NH4]+ 346.144753 192.8
[M+K]+ 367.074088 178.3
[M+H-H2O]+ 311.108190 170.3
[M+HCOO]- 373.109131 189.1
[M+CH3COO]- 387.124781 218.3
[M+Na-2H]- 349.085596 175.4
[M]+ 328.11038142 178.3
[M]- 328.11147858 178.3
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

No patent data available for this compound.