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 167.3
[M+Na]+ 285.13622 177.1
[M-H]- 261.13972 173.0
[M+NH4]+ 280.18082 184.4
[M+K]+ 301.11016 168.0
[M+H-H2O]+ 245.14426 153.4
[M+HCOO]- 307.14520 184.8
[M+CH3COO]- 321.16085 177.1
[M+Na-2H]- 283.12167 173.0
[M]+ 262.14645 159.1
[M]- 262.14755 159.1
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.