CID 3068604

83658-10-0

Structural Information

Molecular Formula
C21H25N3
SMILES
CN1CCN(CC1)CC2CC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C21H25N3/c1-23-11-13-24(14-12-23)16-19-15-18-9-5-6-10-20(18)21(22-19)17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3
InChIKey
SXZITRGKMWZNAX-UHFFFAOYSA-N
Compound name
3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.20483 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.21211 181.4
[M+Na]+ 342.19405 197.7
[M+NH4]+ 337.23865 190.6
[M+K]+ 358.16799 187.3
[M-H]- 318.19755 188.2
[M+Na-2H]- 340.17950 191.0
[M]+ 319.20428 185.9
[M]- 319.20538 185.9
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.