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 191.8
[M+Na]+ 403.16282 199.4
[M-H]- 379.16632 200.7
[M+NH4]+ 398.20742 202.1
[M+K]+ 419.13676 196.2
[M+H-H2O]+ 363.17086 181.4
[M+HCOO]- 425.17180 208.5
[M+CH3COO]- 439.18745 201.7
[M+Na-2H]- 401.14827 191.7
[M]+ 380.17305 195.3
[M]- 380.17415 195.3
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.