CID 3043091

55037-71-3

Structural Information

Molecular Formula
C24H32N2O
SMILES
COC1=CC=CC=C1CN2CCN(CC2)CC3=CC4=C(CCCCC4)C=C3
InChI
InChI=1S/C24H32N2O/c1-27-24-10-6-5-9-23(24)19-26-15-13-25(14-16-26)18-20-11-12-21-7-3-2-4-8-22(21)17-20/h5-6,9-12,17H,2-4,7-8,13-16,18-19H2,1H3
InChIKey
GHCBIWMHGXLQET-UHFFFAOYSA-N
Compound name
1-[(2-methoxyphenyl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.25146 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.25874 196.1
[M+Na]+ 387.24068 208.0
[M+NH4]+ 382.28528 203.8
[M+K]+ 403.21462 199.4
[M-H]- 363.24418 201.9
[M+Na-2H]- 385.22613 203.0
[M]+ 364.25091 199.6
[M]- 364.25201 199.6
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.