CID 71970

Carocainide

Structural Information

Molecular Formula
C18H25N3O5
SMILES
CNC(=O)NC1=C(C2=C(C(=C1OCCN3CCCC3)OC)OC=C2)OC
InChI
InChI=1S/C18H25N3O5/c1-19-18(22)20-13-14(23-2)12-6-10-25-15(12)17(24-3)16(13)26-11-9-21-7-4-5-8-21/h6,10H,4-5,7-9,11H2,1-3H3,(H2,19,20,22)
InChIKey
BWMMRMDCODVQBX-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

34
Patents

363.1794 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.18668 183.2
[M+Na]+ 386.16862 189.2
[M-H]- 362.17212 190.7
[M+NH4]+ 381.21322 197.3
[M+K]+ 402.14256 188.4
[M+H-H2O]+ 346.17666 175.5
[M+HCOO]- 408.17760 206.1
[M+CH3COO]- 422.19325 218.9
[M+Na-2H]- 384.15407 184.5
[M]+ 363.17885 189.6
[M]- 363.17995 189.6
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