CID 16073246

Schembl2836493

Structural Information

Molecular Formula
C23H27FN2O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)NC(C)(C)C
InChI
InChI=1S/C23H27FN2O3/c1-13(2)28-19-11-16-18(12-17(19)26-23(3,4)5)29-21(20(16)22(27)25-6)14-7-9-15(24)10-8-14/h7-13,26H,1-6H3,(H,25,27)
InChIKey
QUPVROLIKBLJPL-UHFFFAOYSA-N
Compound name
6-(tert-butylamino)-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

10
Patents

398.20056 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20784 199.3
[M+Na]+ 421.18978 206.9
[M-H]- 397.19328 207.3
[M+NH4]+ 416.23438 212.0
[M+K]+ 437.16372 204.1
[M+H-H2O]+ 381.19782 190.9
[M+HCOO]- 443.19876 219.7
[M+CH3COO]- 457.21441 231.2
[M+Na-2H]- 419.17523 200.2
[M]+ 398.20001 204.3
[M]- 398.20111 204.3
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