CID 155907846

3av73s3fh9

Structural Information

Molecular Formula
C17H24Cl2N2O
SMILES
CCN([C@@H]1CCCC[C@H]1N(C)C)C(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H24Cl2N2O/c1-4-21(16-8-6-5-7-15(16)20(2)3)17(22)12-9-10-13(18)14(19)11-12/h9-11,15-16H,4-8H2,1-3H3/t15-,16-/m1/s1
InChIKey
MEBBOQYQMHNKCI-HZPDHXFCSA-N
Compound name
3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-ethylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

342.12656 Da
Monoisotopic Mass

4.4
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

No patent data available for this compound.