CID 3068690

83658-75-7

Structural Information

Molecular Formula
C22H27N3O
SMILES
CN1CCN(CC1)CC2CC3=C(C=C(C=C3)OC)C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C22H27N3O/c1-24-10-12-25(13-11-24)16-19-14-18-8-9-20(26-2)15-21(18)22(23-19)17-6-4-3-5-7-17/h3-9,15,19H,10-14,16H2,1-2H3
InChIKey
IZCXEPVOVXQJII-UHFFFAOYSA-N
Compound name
7-methoxy-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

349.21542 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 189.2
[M+Na]+ 372.20464 205.1
[M+NH4]+ 367.24924 197.6
[M+K]+ 388.17858 195.2
[M-H]- 348.20814 195.5
[M+Na-2H]- 370.19009 197.8
[M]+ 349.21487 193.4
[M]- 349.21597 193.4
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.