CID 47864

66204-01-1

Structural Information

Molecular Formula
C19H27N3O5
SMILES
CC(=O)NC1=C(C2=C(C(=C1OCCN3CCN(CC3)C)OC)OC=C2)OC
InChI
InChI=1S/C19H27N3O5/c1-13(23)20-15-16(24-3)14-5-11-26-17(14)19(25-4)18(15)27-12-10-22-8-6-21(2)7-9-22/h5,11H,6-10,12H2,1-4H3,(H,20,23)
InChIKey
JZCSTPTWOCVIDD-UHFFFAOYSA-N
Compound name
N-[4,7-dimethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]-1-benzofuran-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

377.19507 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.202346 189.9
[M+Na]+ 400.184288 196.5
[M-H]- 376.187794 195.6
[M+NH4]+ 395.228893 200.6
[M+K]+ 416.158228 195.0
[M+H-H2O]+ 360.192330 180.5
[M+HCOO]- 422.193271 207.7
[M+CH3COO]- 436.208921 221.7
[M+Na-2H]- 398.169736 190.5
[M]+ 377.19452142 196.0
[M]- 377.19561858 196.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe