CID 39063

41958-63-8

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]+ 277.16994 171.1
[M+Na]+ 299.15188 185.8
[M+NH4]+ 294.19648 177.1
[M+K]+ 315.12582 172.8
[M-H]- 275.15538 169.0
[M+Na-2H]- 297.13733 176.4
[M]+ 276.16211 172.0
[M]- 276.16321 172.0
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.