CID 24060

7475-72-1

Structural Information

Molecular Formula
C18H20N2
SMILES
CN(C)CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C18H20N2/c1-20(2)14-13-18(15-19,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
InChIKey
SZOCKYDZSPRJPT-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2,2-diphenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

264.16266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16994 170.6
[M+Na]+ 287.15188 177.9
[M-H]- 263.15538 176.3
[M+NH4]+ 282.19648 185.1
[M+K]+ 303.12582 172.5
[M+H-H2O]+ 247.15992 156.0
[M+HCOO]- 309.16086 189.6
[M+CH3COO]- 323.17651 213.8
[M+Na-2H]- 285.13733 175.4
[M]+ 264.16211 165.6
[M]- 264.16321 165.6
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