CID 16073235

Schembl2843855

Structural Information

Molecular Formula
C20H20FN3O4
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)NC(=O)N
InChI
InChI=1S/C20H20FN3O4/c1-10(2)27-16-8-13-15(9-14(16)24-20(22)26)28-18(17(13)19(25)23-3)11-4-6-12(21)7-5-11/h4-10H,1-3H3,(H,23,25)(H3,22,24,26)
InChIKey
GRZGHEAOIPTEFB-UHFFFAOYSA-N
Compound name
6-(carbamoylamino)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

385.1438 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.15108 192.3
[M+Na]+ 408.13302 199.6
[M-H]- 384.13652 199.9
[M+NH4]+ 403.17762 204.4
[M+K]+ 424.10696 197.3
[M+H-H2O]+ 368.14106 183.1
[M+HCOO]- 430.14200 214.9
[M+CH3COO]- 444.15765 229.4
[M+Na-2H]- 406.11847 192.1
[M]+ 385.14325 195.2
[M]- 385.14435 195.2
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