CID 3067008

Piperazine, 1-(4-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)butyl)-4-methyl-, dihydrochloride

Structural Information

Molecular Formula
C21H32N2
SMILES
CN1CCN(CC1)CCCCC2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C21H32N2/c1-22-12-14-23(15-13-22)11-3-2-8-21-19-9-4-6-17(19)16-18-7-5-10-20(18)21/h16H,2-15H2,1H3
InChIKey
RUIDPNAUTSXKJE-UHFFFAOYSA-N
Compound name
1-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)butyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.25656 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.26384 181.9
[M+Na]+ 335.24578 185.5
[M-H]- 311.24928 185.8
[M+NH4]+ 330.29038 199.1
[M+K]+ 351.21972 179.5
[M+H-H2O]+ 295.25382 172.6
[M+HCOO]- 357.25476 195.1
[M+CH3COO]- 371.27041 190.3
[M+Na-2H]- 333.23123 178.4
[M]+ 312.25601 177.2
[M]- 312.25711 177.2
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.