CID 104182

Tametraline hydrochloride

Structural Information

Molecular Formula
C17H19N
SMILES
CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC=CC=C3
InChI
InChI=1S/C17H19N/c1-18-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17/h2-10,14,17-18H,11-12H2,1H3/t14-,17-/m0/s1
InChIKey
NVXPZMLRGBVYQV-YOEHRIQHSA-N
Compound name
(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

630
Patents

237.15175 Da
Monoisotopic Mass

3.5
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

patents stripe