CID 3068680

83658-65-5

Structural Information

Molecular Formula
C21H24ClN3
SMILES
CN1CCN(CC1)CC2CC3=C(C=CC=C3Cl)C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C21H24ClN3/c1-24-10-12-25(13-11-24)15-17-14-19-18(8-5-9-20(19)22)21(23-17)16-6-3-2-4-7-16/h2-9,17H,10-15H2,1H3
InChIKey
VJEFLUJVAHCPMB-UHFFFAOYSA-N
Compound name
5-chloro-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

353.16586 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17314 188.1
[M+Na]+ 376.15508 194.4
[M-H]- 352.15858 192.6
[M+NH4]+ 371.19968 198.0
[M+K]+ 392.12902 186.0
[M+H-H2O]+ 336.16312 175.5
[M+HCOO]- 398.16406 196.2
[M+CH3COO]- 412.17971 195.8
[M+Na-2H]- 374.14053 189.8
[M]+ 353.16531 184.7
[M]- 353.16641 184.7
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.