CID 3050347

Brn 5145007

Structural Information

Molecular Formula
C17H25N3O5
SMILES
CC(C)NCCOC1=C(C2=C(C=CO2)C(=C1NC(=O)NC)OC)OC
InChI
InChI=1S/C17H25N3O5/c1-10(2)19-7-9-25-15-12(20-17(21)18-3)13(22-4)11-6-8-24-14(11)16(15)23-5/h6,8,10,19H,7,9H2,1-5H3,(H2,18,20,21)
InChIKey
JXQXTXXOXJWURE-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

351.1794 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.186676 183.5
[M+Na]+ 374.168618 189.7
[M-H]- 350.172124 189.2
[M+NH4]+ 369.213223 197.7
[M+K]+ 390.142558 189.8
[M+H-H2O]+ 334.176660 175.7
[M+HCOO]- 396.177601 208.5
[M+CH3COO]- 410.193251 222.9
[M+Na-2H]- 372.154066 186.4
[M]+ 351.17885142 192.1
[M]- 351.17994858 192.1
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