CID 454660

2,2-bis[(1-methyl-3,6-dihydro-2h-pyridin-4-yl)methyl]-1h-acenaphthylen-1-ol

Structural Information

Molecular Formula
C26H32N2O
SMILES
CN1CCC(=CC1)CC2(C(C3=CC=CC4=C3C2=CC=C4)O)CC5=CCN(CC5)C
InChI
InChI=1S/C26H32N2O/c1-27-13-9-19(10-14-27)17-26(18-20-11-15-28(2)16-12-20)23-8-4-6-21-5-3-7-22(24(21)23)25(26)29/h3-9,11,25,29H,10,12-18H2,1-2H3
InChIKey
BYTHPKPZUULMSL-UHFFFAOYSA-N
Compound name
2,2-bis[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1H-acenaphthylen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.25146 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.25874 200.1
[M+Na]+ 411.24068 205.1
[M-H]- 387.24418 205.5
[M+NH4]+ 406.28528 213.7
[M+K]+ 427.21462 197.2
[M+H-H2O]+ 371.24872 188.5
[M+HCOO]- 433.24966 210.5
[M+CH3COO]- 447.26531 207.2
[M+Na-2H]- 409.22613 198.7
[M]+ 388.25091 195.9
[M]- 388.25201 195.9
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.