CID 12280566

58349-23-8

Structural Information

Molecular Formula
C18H21NO
SMILES
COC1=CC=CC2=C1CC[C@@H](C2)NCC3=CC=CC=C3
InChI
InChI=1S/C18H21NO/c1-20-18-9-5-8-15-12-16(10-11-17(15)18)19-13-14-6-3-2-4-7-14/h2-9,16,19H,10-13H2,1H3/t16-/m0/s1
InChIKey
OZFLGQHJVWSALN-INIZCTEOSA-N
Compound name
(2S)-N-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

267.16232 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 163.8
[M+Na]+ 290.15154 178.2
[M+NH4]+ 285.19614 174.0
[M+K]+ 306.12548 168.5
[M-H]- 266.15504 170.5
[M+Na-2H]- 288.13699 173.0
[M]+ 267.16177 167.9
[M]- 267.16287 167.9
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

patents stripe