CID 216078

37082-21-6

Structural Information

Molecular Formula
C24H23NO2
SMILES
COC1=C(C2=C3[C@@H](CC4=CC=CC=C42)N(CCC3=C1)CC5=CC=CC=C5)O
InChI
InChI=1S/C24H23NO2/c1-27-21-14-18-11-12-25(15-16-7-3-2-4-8-16)20-13-17-9-5-6-10-19(17)23(22(18)20)24(21)26/h2-10,14,20,26H,11-13,15H2,1H3/t20-/m1/s1
InChIKey
CSOTXHXHHZEDFQ-HXUWFJFHSA-N
Compound name
(6aR)-6-benzyl-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

357.17288 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18016 186.9
[M+Na]+ 380.16210 193.3
[M-H]- 356.16560 191.8
[M+NH4]+ 375.20670 200.3
[M+K]+ 396.13604 186.2
[M+H-H2O]+ 340.17014 175.9
[M+HCOO]- 402.17108 199.6
[M+CH3COO]- 416.18673 195.4
[M+Na-2H]- 378.14755 191.6
[M]+ 357.17233 185.8
[M]- 357.17343 185.8
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.