CID 3043134

1-(3-methylphenyl)-4-((6,7,8,9-tetrahydro-5h-benzocyclohepten-2-yl)methyl)piperazine maleate

Structural Information

Molecular Formula
C23H30N2
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC4=C(CCCCC4)C=C3
InChI
InChI=1S/C23H30N2/c1-19-6-5-9-23(16-19)25-14-12-24(13-15-25)18-20-10-11-21-7-3-2-4-8-22(21)17-20/h5-6,9-11,16-17H,2-4,7-8,12-15,18H2,1H3
InChIKey
YJKJQVRSVJIDLE-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)-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

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.24818 185.4
[M+Na]+ 357.23012 187.7
[M-H]- 333.23362 192.0
[M+NH4]+ 352.27472 195.9
[M+K]+ 373.20406 184.9
[M+H-H2O]+ 317.23816 174.7
[M+HCOO]- 379.23910 197.6
[M+CH3COO]- 393.25475 192.6
[M+Na-2H]- 355.21557 186.1
[M]+ 334.24035 175.7
[M]- 334.24145 175.7
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.