CID 15740654

71486-42-5

Structural Information

Molecular Formula
C17H19N3
SMILES
CN(C)CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=N2
InChI
InChI=1S/C17H19N3/c1-20(2)13-11-17(14-18,15-8-4-3-5-9-15)16-10-6-7-12-19-16/h3-10,12H,11,13H2,1-2H3
InChIKey
BMSOFNLCZSJLIN-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-phenyl-2-pyridin-2-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

265.1579 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.165176 168.5
[M+Na]+ 288.147118 175.6
[M-H]- 264.150624 172.6
[M+NH4]+ 283.191723 181.5
[M+K]+ 304.121058 170.8
[M+H-H2O]+ 248.155160 152.8
[M+HCOO]- 310.156101 186.4
[M+CH3COO]- 324.171751 213.4
[M+Na-2H]- 286.132566 173.9
[M]+ 265.15735142 163.4
[M]- 265.15844858 163.4
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