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
8
Annotation Hits

56
References

41
Patents

328.11093 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11821 176.8
[M+Na]+ 351.10015 182.1
[M-H]- 327.10365 184.6
[M+NH4]+ 346.14475 192.8
[M+K]+ 367.07409 178.3
[M+H-H2O]+ 311.10819 170.3
[M+HCOO]- 373.10913 189.1
[M+CH3COO]- 387.12478 218.3
[M+Na-2H]- 349.08560 175.4
[M]+ 328.11038 178.3
[M]- 328.11148 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.