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]+ 358.180156 186.9
[M+Na]+ 380.162098 193.3
[M-H]- 356.165604 191.8
[M+NH4]+ 375.206703 200.3
[M+K]+ 396.136038 186.2
[M+H-H2O]+ 340.170140 175.9
[M+HCOO]- 402.171081 199.6
[M+CH3COO]- 416.186731 195.4
[M+Na-2H]- 378.147546 191.6
[M]+ 357.17233142 185.8
[M]- 357.17342858 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.