CID 44861

63867-26-5

Structural Information

Molecular Formula
C19H22N2
SMILES
CC(CN(C)C)C(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H22N2/c1-16(14-21(2)3)19(15-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14H2,1-3H3
InChIKey
WDEAKMXEZRUYOK-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-3-methyl-2,2-diphenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

278.17828 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 172.8
[M+Na]+ 301.16750 184.9
[M+NH4]+ 296.21210 177.9
[M+K]+ 317.14144 174.1
[M-H]- 277.17100 170.4
[M+Na-2H]- 299.15295 179.0
[M]+ 278.17773 173.2
[M]- 278.17883 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe