CID 3043089

55037-69-9

Structural Information

Molecular Formula
C24H32N2O
SMILES
COC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC4=C(CCCCC4)C=C3
InChI
InChI=1S/C24H32N2O/c1-27-24-11-8-20(9-12-24)18-25-13-15-26(16-14-25)19-21-7-10-22-5-3-2-4-6-23(22)17-21/h7-12,17H,2-6,13-16,18-19H2,1H3
InChIKey
QNMZDSZXHDQUBB-UHFFFAOYSA-N
Compound name
1-[(4-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 192.8
[M+Na]+ 387.24068 194.4
[M-H]- 363.24418 199.1
[M+NH4]+ 382.28528 201.9
[M+K]+ 403.21462 192.2
[M+H-H2O]+ 347.24872 181.7
[M+HCOO]- 409.24966 204.7
[M+CH3COO]- 423.26531 199.3
[M+Na-2H]- 385.22613 192.9
[M]+ 364.25091 184.6
[M]- 364.25201 184.6
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.