CID 16073531

Schembl2841659

Structural Information

Molecular Formula
C21H21FN2O4S
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)C3CC3)N(C)S(=O)(=O)C)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H21FN2O4S/c1-23-21(25)19-16-10-15(12-4-5-12)17(24(2)29(3,26)27)11-18(16)28-20(19)13-6-8-14(22)9-7-13/h6-12H,4-5H2,1-3H3,(H,23,25)
InChIKey
GQAACZQVRYOSRK-UHFFFAOYSA-N
Compound name
5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

416.1206 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.12788 187.6
[M+Na]+ 439.10982 197.9
[M-H]- 415.11332 200.1
[M+NH4]+ 434.15442 195.8
[M+K]+ 455.08376 193.9
[M+H-H2O]+ 399.11786 180.1
[M+HCOO]- 461.11880 205.9
[M+CH3COO]- 475.13445 232.2
[M+Na-2H]- 437.09527 189.6
[M]+ 416.12005 197.2
[M]- 416.12115 197.2
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