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 192.2
[M+Na]+ 402.19522 197.6
[M-H]- 378.19872 195.8
[M+NH4]+ 397.23982 204.3
[M+K]+ 418.16916 190.7
[M+H-H2O]+ 362.20326 180.9
[M+HCOO]- 424.20420 207.8
[M+CH3COO]- 438.21985 200.2
[M+Na-2H]- 400.18067 193.0
[M]+ 379.20545 191.0
[M]- 379.20655 191.0
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.