CID 16073316

Schembl2860834

Structural Information

Molecular Formula
C23H21FN2O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C4=CC=CN4
InChI
InChI=1S/C23H21FN2O3/c1-13(2)28-19-12-17-20(11-16(19)18-5-4-10-26-18)29-22(21(17)23(27)25-3)14-6-8-15(24)9-7-14/h4-13,26H,1-3H3,(H,25,27)
InChIKey
YAJKXTBTXIQONZ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6-(1H-pyrrol-2-yl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

392.15363 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.16091 193.6
[M+Na]+ 415.14285 202.2
[M-H]- 391.14635 202.8
[M+NH4]+ 410.18745 206.0
[M+K]+ 431.11679 197.5
[M+H-H2O]+ 375.15089 184.9
[M+HCOO]- 437.15183 214.0
[M+CH3COO]- 451.16748 204.1
[M+Na-2H]- 413.12830 192.0
[M]+ 392.15308 197.1
[M]- 392.15418 197.1
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