CID 218484

Brn 0855598

Structural Information

Molecular Formula
C22H24N2O4
SMILES
CC1=C(OC2=C1C=CC(=C2OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H24N2O4/c1-15-17-9-10-18(26-2)21(27-3)20(17)28-19(15)22(25)24-13-11-23(12-14-24)16-7-5-4-6-8-16/h4-10H,11-14H2,1-3H3
InChIKey
YJSJOBKLMAKGEG-UHFFFAOYSA-N
Compound name
(6,7-dimethoxy-3-methyl-1-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1736 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 191.0
[M+Na]+ 403.16282 205.9
[M+NH4]+ 398.20742 197.9
[M+K]+ 419.13676 200.8
[M-H]- 379.16632 197.2
[M+Na-2H]- 401.14827 197.5
[M]+ 380.17305 194.9
[M]- 380.17415 194.9
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.