CID 45867

1-naphthonitrile, 1,2,3,4-tetrahydro-4-methylamino-1-phenyl-, hydrochloride, (e)-

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]+ 263.154276 167.3
[M+Na]+ 285.136218 177.1
[M-H]- 261.139724 173.0
[M+NH4]+ 280.180823 184.4
[M+K]+ 301.110158 168.0
[M+H-H2O]+ 245.144260 153.4
[M+HCOO]- 307.145201 184.8
[M+CH3COO]- 321.160851 177.1
[M+Na-2H]- 283.121666 173.0
[M]+ 262.14645142 159.1
[M]- 262.14754858 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.