CID 3053548

Brn 0844422

Structural Information

Molecular Formula
C23H30N2O3
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)CC3C4=C(CCO3)C(=C(C=C4)OC)OC
InChI
InChI=1S/C23H30N2O3/c1-17-5-4-6-18(15-17)25-12-10-24(11-13-25)16-22-19-7-8-21(26-2)23(27-3)20(19)9-14-28-22/h4-8,15,22H,9-14,16H2,1-3H3
InChIKey
ZPVBUYVEWAXSLE-UHFFFAOYSA-N
Compound name
1-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-(3-methylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.22565 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.23293 196.6
[M+Na]+ 405.21487 211.4
[M+NH4]+ 400.25947 204.4
[M+K]+ 421.18881 202.8
[M-H]- 381.21837 204.0
[M+Na-2H]- 403.20032 202.9
[M]+ 382.22510 200.9
[M]- 382.22620 200.9
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.