CID 3040019

1-(alpha-(6,7,8,9-tetrahydro-5h-benzocyclohepten-2-yl)benzyl)-4-methylpiperazine dimaleate

Structural Information

Molecular Formula
C23H30N2
SMILES
CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC4=C(CCCCC4)C=C3
InChI
InChI=1S/C23H30N2/c1-24-14-16-25(17-15-24)23(20-9-5-3-6-10-20)22-13-12-19-8-4-2-7-11-21(19)18-22/h3,5-6,9-10,12-13,18,23H,2,4,7-8,11,14-17H2,1H3
InChIKey
VGKADWLRJBGEPG-UHFFFAOYSA-N
Compound name
1-methyl-4-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2409 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.24818 184.1
[M+Na]+ 357.23012 185.2
[M-H]- 333.23362 190.4
[M+NH4]+ 352.27472 194.2
[M+K]+ 373.20406 182.9
[M+H-H2O]+ 317.23816 173.5
[M+HCOO]- 379.23910 195.4
[M+CH3COO]- 393.25475 190.9
[M+Na-2H]- 355.21557 184.6
[M]+ 334.24035 173.5
[M]- 334.24145 173.5
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.