CID 10018268

Schembl2844136

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC(C)OC1=CC2=C(C=C1)OC(=C2C(=O)NC)C3=CC=NC=C3
InChI
InChI=1S/C18H18N2O3/c1-11(2)22-13-4-5-15-14(10-13)16(18(21)19-3)17(23-15)12-6-8-20-9-7-12/h4-11H,1-3H3,(H,19,21)
InChIKey
IYCHXILYJNVZRB-UHFFFAOYSA-N
Compound name
N-methyl-5-propan-2-yloxy-2-pyridin-4-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

310.13174 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.139016 172.7
[M+Na]+ 333.120958 181.3
[M-H]- 309.124464 180.6
[M+NH4]+ 328.165563 187.4
[M+K]+ 349.094898 178.8
[M+H-H2O]+ 293.129000 164.4
[M+HCOO]- 355.129941 195.3
[M+CH3COO]- 369.145591 208.9
[M+Na-2H]- 331.106406 176.6
[M]+ 310.13119142 178.0
[M]- 310.13228858 178.0
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

patents stripe