CID 489457

1-[5-fluoroindolyl-2-carbonyl]-4-[3-(2-methoxy-1-methylethylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C22H26FN5O2
SMILES
CC(COC)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)F
InChI
InChI=1S/C22H26FN5O2/c1-15(14-30-2)25-19-4-3-7-24-21(19)27-8-10-28(11-9-27)22(29)20-13-16-12-17(23)5-6-18(16)26-20/h3-7,12-13,15,25-26H,8-11,14H2,1-2H3
InChIKey
XZIYAHLPTHTMDM-UHFFFAOYSA-N
Compound name
(5-fluoro-1H-indol-2-yl)-[4-[3-(1-methoxypropan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.20706 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.21434 198.5
[M+Na]+ 434.19628 203.6
[M-H]- 410.19978 201.0
[M+NH4]+ 429.24088 204.6
[M+K]+ 450.17022 196.7
[M+H-H2O]+ 394.20432 185.7
[M+HCOO]- 456.20526 210.6
[M+CH3COO]- 470.22091 204.8
[M+Na-2H]- 432.18173 197.6
[M]+ 411.20651 195.3
[M]- 411.20761 195.3
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.