CID 3068688

83658-73-5

Structural Information

Molecular Formula
C22H27N3
SMILES
CC1=CC2=C(CC(N=C2C3=CC=CC=C3)CN4CCN(CC4)C)C=C1
InChI
InChI=1S/C22H27N3/c1-17-8-9-19-15-20(16-25-12-10-24(2)11-13-25)23-22(21(19)14-17)18-6-4-3-5-7-18/h3-9,14,20H,10-13,15-16H2,1-2H3
InChIKey
GDJMVGLTXTUSFU-UHFFFAOYSA-N
Compound name
7-methyl-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

333.2205 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.22778 186.4
[M+Na]+ 356.20972 191.6
[M-H]- 332.21322 191.2
[M+NH4]+ 351.25432 196.3
[M+K]+ 372.18366 184.2
[M+H-H2O]+ 316.21776 173.6
[M+HCOO]- 378.21870 198.8
[M+CH3COO]- 392.23435 194.1
[M+Na-2H]- 354.19517 188.1
[M]+ 333.21995 181.0
[M]- 333.22105 181.0
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.