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

13
Patents

310.13174 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 172.7
[M+Na]+ 333.12096 181.3
[M-H]- 309.12446 180.6
[M+NH4]+ 328.16556 187.4
[M+K]+ 349.09490 178.8
[M+H-H2O]+ 293.12900 164.4
[M+HCOO]- 355.12994 195.3
[M+CH3COO]- 369.14559 208.9
[M+Na-2H]- 331.10641 176.6
[M]+ 310.13119 178.0
[M]- 310.13229 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