CID 16073223

Schembl2838944

Structural Information

Molecular Formula
C23H27FN2O4
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N(C)CCOC
InChI
InChI=1S/C23H27FN2O4/c1-14(2)29-20-12-17-19(13-18(20)26(4)10-11-28-5)30-22(21(17)23(27)25-3)15-6-8-16(24)9-7-15/h6-9,12-14H,10-11H2,1-5H3,(H,25,27)
InChIKey
MWHLWDOXNNGIDG-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-[2-methoxyethyl(methyl)amino]-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

414.1955 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20278 203.0
[M+Na]+ 437.18472 209.9
[M-H]- 413.18822 211.9
[M+NH4]+ 432.22932 215.2
[M+K]+ 453.15866 208.5
[M+H-H2O]+ 397.19276 193.3
[M+HCOO]- 459.19370 225.4
[M+CH3COO]- 473.20935 236.7
[M+Na-2H]- 435.17017 202.0
[M]+ 414.19495 211.1
[M]- 414.19605 211.1
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