CID 16073301

Schembl2841703

Structural Information

Molecular Formula
C21H18FN3O4
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C4=NOC=N4
InChI
InChI=1S/C21H18FN3O4/c1-11(2)28-17-8-14-16(9-15(17)20-24-10-27-25-20)29-19(18(14)21(26)23-3)12-4-6-13(22)7-5-12/h4-11H,1-3H3,(H,23,26)
InChIKey
RLPUWEHQWQVMSG-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-(1,2,4-oxadiazol-3-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

395.12814 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.13542 192.8
[M+Na]+ 418.11736 202.7
[M-H]- 394.12086 202.9
[M+NH4]+ 413.16196 203.0
[M+K]+ 434.09130 200.5
[M+H-H2O]+ 378.12540 183.4
[M+HCOO]- 440.12634 213.1
[M+CH3COO]- 454.14199 203.9
[M+Na-2H]- 416.10281 192.8
[M]+ 395.12759 199.8
[M]- 395.12869 199.8
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