CID 58216

101221-63-0

Structural Information

Molecular Formula
C23H26FN3O
SMILES
CN(CCCC(=O)C1=CC=C(C=C1)F)CN2CCC3=C(C2)NC4=CC=CC=C34
InChI
InChI=1S/C23H26FN3O/c1-26(13-4-7-23(28)17-8-10-18(24)11-9-17)16-27-14-12-20-19-5-2-3-6-21(19)25-22(20)15-27/h2-3,5-6,8-11,25H,4,7,12-16H2,1H3
InChIKey
KCWAIWPGRLUYOS-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[methyl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)amino]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.206 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.21328 192.5
[M+Na]+ 402.19522 204.6
[M+NH4]+ 397.23982 199.6
[M+K]+ 418.16916 197.9
[M-H]- 378.19872 195.5
[M+Na-2H]- 400.18067 197.8
[M]+ 379.20545 194.9
[M]- 379.20655 194.9
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.