CID 16073315

Schembl2838966

Structural Information

Molecular Formula
C22H19FN2O3S
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C4=NC=CS4
InChI
InChI=1S/C22H19FN2O3S/c1-12(2)27-18-10-15-17(11-16(18)22-25-8-9-29-22)28-20(19(15)21(26)24-3)13-4-6-14(23)7-5-13/h4-12H,1-3H3,(H,24,26)
InChIKey
JKQRAXOGXCGYDA-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6-(1,3-thiazol-2-yl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

410.11005 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.11733 197.2
[M+Na]+ 433.09927 207.4
[M-H]- 409.10277 208.1
[M+NH4]+ 428.14387 210.6
[M+K]+ 449.07321 203.3
[M+H-H2O]+ 393.10731 189.4
[M+HCOO]- 455.10825 214.9
[M+CH3COO]- 469.12390 208.4
[M+Na-2H]- 431.08472 194.6
[M]+ 410.10950 204.8
[M]- 410.11060 204.8
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