CID 3033039

Trans-1,2,3,4-tetrahydro-n,n-dimethyl-4-phenyl-1-naphthylamine hydrochloride

Structural Information

Molecular Formula
C18H21N
SMILES
CN(C)[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC=CC=C3
InChI
InChI=1S/C18H21N/c1-19(2)18-13-12-15(14-8-4-3-5-9-14)16-10-6-7-11-17(16)18/h3-11,15,18H,12-13H2,1-2H3/t15-,18-/m0/s1
InChIKey
ZLYGADOSSMOOPG-YJBOKZPZSA-N
Compound name
(1S,4S)-N,N-dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.1674 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17468 158.8
[M+Na]+ 274.15662 164.1
[M-H]- 250.16012 166.9
[M+NH4]+ 269.20122 177.0
[M+K]+ 290.13056 160.2
[M+H-H2O]+ 234.16466 150.4
[M+HCOO]- 296.16560 180.2
[M+CH3COO]- 310.18125 170.5
[M+Na-2H]- 272.14207 164.0
[M]+ 251.16685 156.2
[M]- 251.16795 156.2
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.