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]+ 381.180876 191.8
[M+Na]+ 403.162818 199.4
[M-H]- 379.166324 200.7
[M+NH4]+ 398.207423 202.1
[M+K]+ 419.136758 196.2
[M+H-H2O]+ 363.170860 181.4
[M+HCOO]- 425.171801 208.5
[M+CH3COO]- 439.187451 201.7
[M+Na-2H]- 401.148266 191.7
[M]+ 380.17305142 195.3
[M]- 380.17414858 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.