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

2
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

patents stripe