CID 24847526

102433-28-3

Structural Information

Molecular Formula
C19H27N3O5
SMILES
CC(COC1=C(C2=C(C=CO2)C(=C1NC(=O)NC)OC)OC)N3CCCC3
InChI
InChI=1S/C19H27N3O5/c1-12(22-8-5-6-9-22)11-27-17-14(21-19(23)20-2)15(24-3)13-7-10-26-16(13)18(17)25-4/h7,10,12H,5-6,8-9,11H2,1-4H3,(H2,20,21,23)
InChIKey
UZIYTFUDTYPZMF-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylpropoxy)-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.19507 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.202346 188.8
[M+Na]+ 400.184288 194.0
[M-H]- 376.187794 196.2
[M+NH4]+ 395.228893 202.2
[M+K]+ 416.158228 193.5
[M+H-H2O]+ 360.192330 181.1
[M+HCOO]- 422.193271 210.2
[M+CH3COO]- 436.208921 222.7
[M+Na-2H]- 398.169736 188.4
[M]+ 377.19452142 194.9
[M]- 377.19561858 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.