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]+ 320.212106 181.1
[M+Na]+ 342.194048 185.8
[M-H]- 318.197554 185.7
[M+NH4]+ 337.238653 191.2
[M+K]+ 358.167988 178.6
[M+H-H2O]+ 302.202090 168.3
[M+HCOO]- 364.203031 193.9
[M+CH3COO]- 378.218681 188.9
[M+Na-2H]- 340.179496 184.2
[M]+ 319.20428142 175.0
[M]- 319.20537858 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.