CID 55184

Brn 5635176

Structural Information

Molecular Formula
C24H28FN3O
SMILES
CN(CCCC(=O)C1=CC=C(C=C1)F)CCN2CCC3=C(C2)NC4=CC=CC=C34
InChI
InChI=1S/C24H28FN3O/c1-27(13-4-7-24(29)18-8-10-19(25)11-9-18)15-16-28-14-12-21-20-5-2-3-6-22(20)26-23(21)17-28/h2-3,5-6,8-11,26H,4,7,12-17H2,1H3
InChIKey
DCKUMCKLQBKGRY-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[methyl-[2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]amino]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.22165 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.22893 197.0
[M+Na]+ 416.21087 208.9
[M+NH4]+ 411.25547 204.0
[M+K]+ 432.18481 202.0
[M-H]- 392.21437 199.9
[M+Na-2H]- 414.19632 202.0
[M]+ 393.22110 199.4
[M]- 393.22220 199.4
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

No patent data available for this compound.