CID 3053545

Brn 0847166

Structural Information

Molecular Formula
C23H30N2O3
SMILES
CC1=CC=CC=C1N2CCN(CC2)CC3C4=C(CCO3)C(=C(C=C4)OC)OC
InChI
InChI=1S/C23H30N2O3/c1-17-6-4-5-7-20(17)25-13-11-24(12-14-25)16-22-18-8-9-21(26-2)23(27-3)19(18)10-15-28-22/h4-9,22H,10-16H2,1-3H3
InChIKey
RSLANAJAQOJPAH-UHFFFAOYSA-N
Compound name
1-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-(2-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]+ 383.232926 197.2
[M+Na]+ 405.214868 201.6
[M-H]- 381.218374 204.1
[M+NH4]+ 400.259473 205.2
[M+K]+ 421.188808 197.8
[M+H-H2O]+ 365.222910 184.9
[M+HCOO]- 427.223851 208.9
[M+CH3COO]- 441.239501 204.8
[M+Na-2H]- 403.200316 197.4
[M]+ 382.22510142 195.6
[M]- 382.22619858 195.6
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.