CID 3047237

63080-46-6

Structural Information

Molecular Formula
C25H31NO2
SMILES
COC1=C(C2=C3C(CCC24CCCC4)N(CCC3=C1)CC5=CC=CC=C5)OC
InChI
InChI=1S/C25H31NO2/c1-27-21-16-19-11-15-26(17-18-8-4-3-5-9-18)20-10-14-25(12-6-7-13-25)23(22(19)20)24(21)28-2/h3-5,8-9,16,20H,6-7,10-15,17H2,1-2H3
InChIKey
HMRXKGSMHGVRHH-UHFFFAOYSA-N
Compound name
1-benzyl-5,6-dimethoxyspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.23547 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.24275 195.4
[M+Na]+ 400.22469 199.8
[M-H]- 376.22819 202.1
[M+NH4]+ 395.26929 211.6
[M+K]+ 416.19863 193.5
[M+H-H2O]+ 360.23273 184.4
[M+HCOO]- 422.23367 207.6
[M+CH3COO]- 436.24932 203.4
[M+Na-2H]- 398.21014 195.2
[M]+ 377.23492 192.3
[M]- 377.23602 192.3
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.