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 178.2
[M+Na]+ 344.16210 186.8
[M-H]- 320.16560 183.6
[M+NH4]+ 339.20670 189.0
[M+K]+ 360.13604 180.0
[M+H-H2O]+ 304.17014 169.0
[M+HCOO]- 366.17108 191.2
[M+CH3COO]- 380.18673 187.2
[M+Na-2H]- 342.14755 182.3
[M]+ 321.17233 179.9
[M]- 321.17343 179.9
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

No patent data available for this compound.