CID 10060088

Chembl339787

Structural Information

Molecular Formula
C17H19N
SMILES
CN[C@H]1C[C@@H](C2=CC=CC=C2C1)C3=CC=CC=C3
InChI
InChI=1S/C17H19N/c1-18-15-11-14-9-5-6-10-16(14)17(12-15)13-7-3-2-4-8-13/h2-10,15,17-18H,11-12H2,1H3/t15-,17-/m1/s1
InChIKey
HLOCJJORRHQDKS-NVXWUHKLSA-N
Compound name
(2S,4R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.15175 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.159026 153.7
[M+Na]+ 260.140968 159.4
[M-H]- 236.144474 160.6
[M+NH4]+ 255.185573 171.9
[M+K]+ 276.114908 154.4
[M+H-H2O]+ 220.149010 145.8
[M+HCOO]- 282.149951 175.1
[M+CH3COO]- 296.165601 165.4
[M+Na-2H]- 258.126416 160.3
[M]+ 237.15120142 149.7
[M]- 237.15229858 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.