CID 489455

1-[5-fluoroindolyl-2-carbonyl]-4-[3-(2',2'-dimethylpropylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C23H28FN5O
SMILES
CC(C)(C)CNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)F
InChI
InChI=1S/C23H28FN5O/c1-23(2,3)15-26-19-5-4-8-25-21(19)28-9-11-29(12-10-28)22(30)20-14-16-13-17(24)6-7-18(16)27-20/h4-8,13-14,26-27H,9-12,15H2,1-3H3
InChIKey
DWRRCFCEBSMDHG-UHFFFAOYSA-N
Compound name
[4-[3-(2,2-dimethylpropylamino)pyridin-2-yl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.22778 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.23506 202.4
[M+Na]+ 432.21700 208.2
[M-H]- 408.22050 205.0
[M+NH4]+ 427.26160 209.1
[M+K]+ 448.19094 200.4
[M+H-H2O]+ 392.22504 190.2
[M+HCOO]- 454.22598 213.4
[M+CH3COO]- 468.24163 208.8
[M+Na-2H]- 430.20245 202.8
[M]+ 409.22723 198.2
[M]- 409.22833 198.2
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.