CID 10314819

Schembl2835684

Structural Information

Molecular Formula
C20H18N2O3
SMILES
CC(C)OC1=CC2=C(C=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C20H18N2O3/c1-12(2)24-15-8-9-17-16(10-15)18(20(23)22-3)19(25-17)14-6-4-13(11-21)5-7-14/h4-10,12H,1-3H3,(H,22,23)
InChIKey
JICWNBSUNMTBJZ-UHFFFAOYSA-N
Compound name
2-(4-cyanophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

334.13174 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13902 186.3
[M+Na]+ 357.12096 197.3
[M-H]- 333.12446 193.2
[M+NH4]+ 352.16556 199.6
[M+K]+ 373.09490 191.7
[M+H-H2O]+ 317.12900 171.9
[M+HCOO]- 379.12994 205.3
[M+CH3COO]- 393.14559 223.3
[M+Na-2H]- 355.10641 187.3
[M]+ 334.13119 185.9
[M]- 334.13229 185.9
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