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]+ 277.169936 171.4
[M+Na]+ 299.151878 180.8
[M-H]- 275.155384 178.1
[M+NH4]+ 294.196483 188.6
[M+K]+ 315.125818 172.7
[M+H-H2O]+ 259.159920 157.0
[M+HCOO]- 321.160861 189.0
[M+CH3COO]- 335.176511 181.3
[M+Na-2H]- 297.137326 175.9
[M]+ 276.16211142 164.5
[M]- 276.16320858 164.5
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.