CID 40335

52371-46-7

Structural Information

Molecular Formula
C19H20N2
SMILES
CN(C)[C@@H]1CC[C@](C2=CC=CC=C12)(C#N)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2/c1-21(2)18-12-13-19(14-20,15-8-4-3-5-9-15)17-11-7-6-10-16(17)18/h3-11,18H,12-13H2,1-2H3/t18-,19+/m1/s1
InChIKey
IOCRRTLVXGYGIO-MOPGFXCFSA-N
Compound name
(1S,4R)-4-(dimethylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.16266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16994 170.2
[M+Na]+ 299.15188 183.9
[M+NH4]+ 294.19648 178.0
[M+K]+ 315.12582 170.0
[M-H]- 275.15538 169.3
[M+Na-2H]- 297.13733 177.4
[M]+ 276.16211 171.5
[M]- 276.16321 171.5
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.