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

21
Patents

267.16232 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.169596 161.7
[M+Na]+ 290.151538 166.9
[M-H]- 266.155044 168.4
[M+NH4]+ 285.196143 178.6
[M+K]+ 306.125478 162.2
[M+H-H2O]+ 250.159580 153.3
[M+HCOO]- 312.160521 182.9
[M+CH3COO]- 326.176171 172.8
[M+Na-2H]- 288.136986 167.8
[M]+ 267.16177142 159.4
[M]- 267.16286858 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