CID 3068805

1-((3,4-dihydro-2h-1-benzopyran-3-yl)methyl)-4-(2-methoxyphenyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C21H26N2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC3CC4=CC=CC=C4OC3
InChI
InChI=1S/C21H26N2O2/c1-24-21-9-5-3-7-19(21)23-12-10-22(11-13-23)15-17-14-18-6-2-4-8-20(18)25-16-17/h2-9,17H,10-16H2,1H3
InChIKey
ZVDVMAUXXFJTMB-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 183.7
[M+Na]+ 361.18865 187.3
[M-H]- 337.19215 190.1
[M+NH4]+ 356.23325 193.0
[M+K]+ 377.16259 183.1
[M+H-H2O]+ 321.19669 171.5
[M+HCOO]- 383.19763 196.0
[M+CH3COO]- 397.21328 191.6
[M+Na-2H]- 359.17410 186.3
[M]+ 338.19888 179.1
[M]- 338.19998 179.1
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.