CID 166423

73356-67-9

Structural Information

Molecular Formula
C21H24F3N3O2
SMILES
CN1C2=C(C=CC(=C2)C(F)(F)F)C3=C1C=C(O3)C(=O)NCCCN4CCCCC4
InChI
InChI=1S/C21H24F3N3O2/c1-26-16-12-14(21(22,23)24)6-7-15(16)19-17(26)13-18(29-19)20(28)25-8-5-11-27-9-3-2-4-10-27/h6-7,12-13H,2-5,8-11H2,1H3,(H,25,28)
InChIKey
BPDXSVFHUFURAC-UHFFFAOYSA-N
Compound name
4-methyl-N-(3-piperidin-1-ylpropyl)-6-(trifluoromethyl)furo[3,2-b]indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

407.18207 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18935 195.9
[M+Na]+ 430.17129 204.1
[M-H]- 406.17479 199.0
[M+NH4]+ 425.21589 208.2
[M+K]+ 446.14523 198.8
[M+H-H2O]+ 390.17933 185.4
[M+HCOO]- 452.18027 209.7
[M+CH3COO]- 466.19592 224.8
[M+Na-2H]- 428.15674 195.7
[M]+ 407.18152 195.5
[M]- 407.18262 195.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.