CID 129390993

N-desmethyl u-47700

Structural Information

Molecular Formula
C15H20Cl2N2O
SMILES
CN[C@@H]1CCCC[C@H]1N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H20Cl2N2O/c1-18-13-5-3-4-6-14(13)19(2)15(20)10-7-8-11(16)12(17)9-10/h7-9,13-14,18H,3-6H2,1-2H3/t13-,14-/m1/s1
InChIKey
UOLMIGVJKXDEGR-ZIAGYGMSSA-N
Compound name
3,4-dichloro-N-methyl-N-[(1R,2R)-2-(methylamino)cyclohexyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

314.09528 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.102556 172.9
[M+Na]+ 337.084498 178.5
[M-H]- 313.088004 179.4
[M+NH4]+ 332.129103 188.9
[M+K]+ 353.058438 173.5
[M+H-H2O]+ 297.092540 166.7
[M+HCOO]- 359.093481 185.0
[M+CH3COO]- 373.109131 212.1
[M+Na-2H]- 335.069946 172.7
[M]+ 314.09473142 172.8
[M]- 314.09582858 172.8
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