CID 4286459

2-(3-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-oxopropyl)malononitrile

Structural Information

Molecular Formula
C19H15ClN2O2
SMILES
COC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Cl)C(C#N)C#N
InChI
InChI=1S/C19H15ClN2O2/c1-24-17-8-4-13(5-9-17)18(15(11-21)12-22)10-19(23)14-2-6-16(20)7-3-14/h2-9,15,18H,10H2,1H3
InChIKey
FZOCWTJIZMLWSE-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-oxopropyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0822 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08948 185.7
[M+Na]+ 361.07142 195.5
[M-H]- 337.07492 189.8
[M+NH4]+ 356.11602 194.8
[M+K]+ 377.04536 188.1
[M+H-H2O]+ 321.07946 169.9
[M+HCOO]- 383.08040 193.2
[M+CH3COO]- 397.09605 233.1
[M+Na-2H]- 359.05687 183.6
[M]+ 338.08165 179.8
[M]- 338.08275 179.8
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

No patent data available for this compound.