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 181.1
[M+Na]+ 342.19405 185.8
[M-H]- 318.19755 185.7
[M+NH4]+ 337.23865 191.2
[M+K]+ 358.16799 178.6
[M+H-H2O]+ 302.20209 168.3
[M+HCOO]- 364.20303 193.9
[M+CH3COO]- 378.21868 188.9
[M+Na-2H]- 340.17950 184.2
[M]+ 319.20428 175.0
[M]- 319.20538 175.0
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.