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]+ 378.20235 188.8
[M+Na]+ 400.18429 194.0
[M-H]- 376.18779 196.2
[M+NH4]+ 395.22889 202.2
[M+K]+ 416.15823 193.5
[M+H-H2O]+ 360.19233 181.1
[M+HCOO]- 422.19327 210.2
[M+CH3COO]- 436.20892 222.7
[M+Na-2H]- 398.16974 188.4
[M]+ 377.19452 194.9
[M]- 377.19562 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.