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 189.5
[M+Na]+ 372.20464 194.5
[M-H]- 348.20814 194.3
[M+NH4]+ 367.24924 198.6
[M+K]+ 388.17858 187.8
[M+H-H2O]+ 332.21268 176.5
[M+HCOO]- 394.21362 202.1
[M+CH3COO]- 408.22927 197.1
[M+Na-2H]- 370.19009 191.3
[M]+ 349.21487 185.6
[M]- 349.21597 185.6
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.