CID 45867

63978-90-5

Structural Information

Molecular Formula
C18H18N2
SMILES
CNC1CC[C@@](C2=CC=CC=C12)(C#N)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2/c1-20-17-11-12-18(13-19,14-7-3-2-4-8-14)16-10-6-5-9-15(16)17/h2-10,17,20H,11-12H2,1H3/t17?,18-/m1/s1
InChIKey
LQANABSKMWHHLX-QRWMCTBCSA-N
Compound name
(1R)-4-(methylamino)-1-phenyl-3,4-dihydro-2H-naphthalene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.147 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15428 166.9
[M+Na]+ 285.13622 180.7
[M+NH4]+ 280.18082 174.7
[M+K]+ 301.11016 166.4
[M-H]- 261.13972 165.8
[M+Na-2H]- 283.12167 174.1
[M]+ 262.14645 168.1
[M]- 262.14755 168.1
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.