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]+ 238.15903 153.7
[M+Na]+ 260.14097 159.4
[M-H]- 236.14447 160.6
[M+NH4]+ 255.18557 171.9
[M+K]+ 276.11491 154.4
[M+H-H2O]+ 220.14901 145.8
[M+HCOO]- 282.14995 175.1
[M+CH3COO]- 296.16560 165.4
[M+Na-2H]- 258.12642 160.3
[M]+ 237.15120 149.7
[M]- 237.15230 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.