CID 218946

1-isopropylamino-3-(1,4-ethano-1,2,3,4-tetrahydro-5-naphthoxy)propan-2-ol hydrochloride

Structural Information

Molecular Formula
C18H27NO2
SMILES
CC(C)NCC(COC1=CC=CC2=C1C3CCC2CC3)O
InChI
InChI=1S/C18H27NO2/c1-12(2)19-10-15(20)11-21-17-5-3-4-16-13-6-8-14(9-7-13)18(16)17/h3-5,12-15,19-20H,6-11H2,1-2H3
InChIKey
HFGHCLXESABUNL-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-3-(3-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.2042 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 164.5
[M+Na]+ 312.19342 173.7
[M+NH4]+ 307.23802 174.5
[M+K]+ 328.16736 166.6
[M-H]- 288.19692 164.5
[M+Na-2H]- 310.17887 163.1
[M]+ 289.20365 165.7
[M]- 289.20475 165.7
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