CID 4490032

790272-28-5

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]+ 326.130626 177.7
[M+Na]+ 348.112568 184.4
[M-H]- 324.116074 186.6
[M+NH4]+ 343.157173 193.9
[M+K]+ 364.086508 176.9
[M+H-H2O]+ 308.120610 169.5
[M+HCOO]- 370.121551 194.2
[M+CH3COO]- 384.137201 188.1
[M+Na-2H]- 346.098016 180.5
[M]+ 325.12280142 174.9
[M]- 325.12389858 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.