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

25
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 161.7
[M+Na]+ 290.15154 166.9
[M-H]- 266.15504 168.4
[M+NH4]+ 285.19614 178.6
[M+K]+ 306.12548 162.2
[M+H-H2O]+ 250.15958 153.3
[M+HCOO]- 312.16052 182.9
[M+CH3COO]- 326.17617 172.8
[M+Na-2H]- 288.13699 167.8
[M]+ 267.16177 159.4
[M]- 267.16287 159.4
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