CID 71747

Murocainide

Structural Information

Molecular Formula
C19H27N3O5
SMILES
CNC(=O)NC1=C(C2=C(C(=C1OCCN3CCCCC3)OC)OC=C2)OC
InChI
InChI=1S/C19H27N3O5/c1-20-19(23)21-14-15(24-2)13-7-11-26-16(13)18(25-3)17(14)27-12-10-22-8-5-4-6-9-22/h7,11H,4-6,8-10,12H2,1-3H3,(H2,20,21,23)
InChIKey
ZXISMUFCWBYFTO-UHFFFAOYSA-N
Compound name
1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

34
Patents

377.19507 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20235 188.0
[M+Na]+ 400.18429 192.9
[M-H]- 376.18779 194.6
[M+NH4]+ 395.22889 199.5
[M+K]+ 416.15823 191.7
[M+H-H2O]+ 360.19233 178.9
[M+HCOO]- 422.19327 208.2
[M+CH3COO]- 436.20892 222.4
[M+Na-2H]- 398.16974 190.2
[M]+ 377.19452 192.5
[M]- 377.19562 192.5
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