CID 95885

Valeronitrile, 5-(dimethylamino)-2,2-diphenyl-

Structural Information

Molecular Formula
C19H22N2
SMILES
CN(C)CCCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H22N2/c1-21(2)15-9-14-19(16-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13H,9,14-15H2,1-2H3
InChIKey
CUSRNMDZVRKOIM-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2,2-diphenylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.17828 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 173.3
[M+Na]+ 301.16750 185.8
[M+NH4]+ 296.21210 178.5
[M+K]+ 317.14144 174.2
[M-H]- 277.17100 171.1
[M+Na-2H]- 299.15295 179.8
[M]+ 278.17773 173.8
[M]- 278.17883 173.8
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