CID 4490032

6-benzylidene-2-(2-chloro-phenyl)-2-methylamino-cyclohexanone

Structural Information

Molecular Formula
C20H20ClNO
SMILES
CNC1(CCCC(=CC2=CC=CC=C2)C1=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H20ClNO/c1-22-20(17-11-5-6-12-18(17)21)13-7-10-16(19(20)23)14-15-8-3-2-4-9-15/h2-6,8-9,11-12,14,22H,7,10,13H2,1H3
InChIKey
NMIRKZWCHKQRAV-UHFFFAOYSA-N
Compound name
6-benzylidene-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.12335 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13063 177.7
[M+Na]+ 348.11257 184.4
[M-H]- 324.11607 186.6
[M+NH4]+ 343.15717 193.9
[M+K]+ 364.08651 176.9
[M+H-H2O]+ 308.12061 169.5
[M+HCOO]- 370.12155 194.2
[M+CH3COO]- 384.13720 188.1
[M+Na-2H]- 346.09802 180.5
[M]+ 325.12280 174.9
[M]- 325.12390 174.9
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.