CID 3043095

1-(phenylmethyl)-4-((6,7,8,9-tetrahydro-5h-benzocyclohepten-2-yl)methyl)piperazine dimaleate

Structural Information

Molecular Formula
C23H30N2
SMILES
C1CCC2=C(CC1)C=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C23H30N2/c1-3-7-20(8-4-1)18-24-13-15-25(16-14-24)19-21-11-12-22-9-5-2-6-10-23(22)17-21/h1,3-4,7-8,11-12,17H,2,5-6,9-10,13-16,18-19H2
InChIKey
WFWXYFFUEPNYPZ-UHFFFAOYSA-N
Compound name
1-benzyl-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

334.2409 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.24818 185.0
[M+Na]+ 357.23012 186.3
[M-H]- 333.23362 191.1
[M+NH4]+ 352.27472 195.0
[M+K]+ 373.20406 183.4
[M+H-H2O]+ 317.23816 174.1
[M+HCOO]- 379.23910 197.1
[M+CH3COO]- 393.25475 191.8
[M+Na-2H]- 355.21557 186.3
[M]+ 334.24035 174.8
[M]- 334.24145 174.8
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.