CID 3040004

2-(4-(3-phenylpropyl)piperazino)-6,7,8,9-tetrahydro-5h-benzocycloheptene maleate

Structural Information

Molecular Formula
C24H32N2
SMILES
C1CCC2=C(CC1)C=C(C=C2)N3CCN(CC3)CCCC4=CC=CC=C4
InChI
InChI=1S/C24H32N2/c1-3-8-21(9-4-1)10-7-15-25-16-18-26(19-17-25)24-14-13-22-11-5-2-6-12-23(22)20-24/h1,3-4,8-9,13-14,20H,2,5-7,10-12,15-19H2
InChIKey
CHZHKUPUVAGOOB-UHFFFAOYSA-N
Compound name
1-(3-phenylpropyl)-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.25656 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.26384 189.1
[M+Na]+ 371.24578 190.1
[M-H]- 347.24928 195.1
[M+NH4]+ 366.29038 198.7
[M+K]+ 387.21972 186.9
[M+H-H2O]+ 331.25382 178.0
[M+HCOO]- 393.25476 200.9
[M+CH3COO]- 407.27041 195.5
[M+Na-2H]- 369.23123 190.0
[M]+ 348.25601 179.3
[M]- 348.25711 179.3
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.