CID 39063

Dtxsid80962112

Structural Information

Molecular Formula
C19H20N2
SMILES
C[C@H]1C(C2=CC=CC=C2CN1CCC#N)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2/c1-15-19(16-8-3-2-4-9-16)18-11-6-5-10-17(18)14-21(15)13-7-12-20/h2-6,8-11,15,19H,7,13-14H2,1H3/t15-,19?/m0/s1
InChIKey
CFRWPPYCQRSFFW-FUKCDUGKSA-N
Compound name
3-[(3S)-3-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.16266 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.169936 167.7
[M+Na]+ 299.151878 177.1
[M-H]- 275.155384 171.6
[M+NH4]+ 294.196483 181.7
[M+K]+ 315.125818 168.4
[M+H-H2O]+ 259.159920 152.6
[M+HCOO]- 321.160861 182.6
[M+CH3COO]- 335.176511 176.9
[M+Na-2H]- 297.137326 171.4
[M]+ 276.16211142 160.7
[M]- 276.16320858 160.7
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.