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 196.7
[M+Na]+ 416.21087 201.6
[M-H]- 392.21437 200.1
[M+NH4]+ 411.25547 208.2
[M+K]+ 432.18481 194.5
[M+H-H2O]+ 376.21891 185.2
[M+HCOO]- 438.21985 211.9
[M+CH3COO]- 452.23550 204.3
[M+Na-2H]- 414.19632 197.0
[M]+ 393.22110 195.8
[M]- 393.22220 195.8
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.