CID 5930148

Nsc670688

Structural Information

Molecular Formula
C16H19Cl2NO
SMILES
CN(C)CC1CCC/C(=C/C2=CC(=C(C=C2)Cl)Cl)/C1=O
InChI
InChI=1S/C16H19Cl2NO/c1-19(2)10-13-5-3-4-12(16(13)20)8-11-6-7-14(17)15(18)9-11/h6-9,13H,3-5,10H2,1-2H3/b12-8-
InChIKey
XZHSEFMXDPDUKO-WQLSENKSSA-N
Compound name
(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

311.08438 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09166 171.6
[M+Na]+ 334.07360 179.1
[M-H]- 310.07710 178.3
[M+NH4]+ 329.11820 188.3
[M+K]+ 350.04754 172.8
[M+H-H2O]+ 294.08164 165.6
[M+HCOO]- 356.08258 183.4
[M+CH3COO]- 370.09823 209.6
[M+Na-2H]- 332.05905 171.0
[M]+ 311.08383 172.6
[M]- 311.08493 172.6
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