CID 216075

Brn 1551155

Structural Information

Molecular Formula
C21H23NO2
SMILES
COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)N(CCC3=C1)CC5CC5)O
InChI
InChI=1S/C21H23NO2/c1-24-18-11-15-8-9-22(12-13-6-7-13)17-10-14-4-2-3-5-16(14)20(19(15)17)21(18)23/h2-5,11,13,17,23H,6-10,12H2,1H3/t17-/m1/s1
InChIKey
AHNVXIFOULNIOP-QGZVFWFLSA-N
Compound name
(6aR)-6-(cyclopropylmethyl)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 176.3
[M+Na]+ 344.16210 193.0
[M+NH4]+ 339.20670 187.1
[M+K]+ 360.13604 185.0
[M-H]- 320.16560 188.2
[M+Na-2H]- 342.14755 183.8
[M]+ 321.17233 183.5
[M]- 321.17343 183.5
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

No patent data available for this compound.