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)-2-pyridinyl]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]+ 412.214336 198.5
[M+Na]+ 434.196278 203.6
[M-H]- 410.199784 201.0
[M+NH4]+ 429.240883 204.6
[M+K]+ 450.170218 196.7
[M+H-H2O]+ 394.204320 185.7
[M+HCOO]- 456.205261 210.6
[M+CH3COO]- 470.220911 204.8
[M+Na-2H]- 432.181726 197.6
[M]+ 411.20651142 195.3
[M]- 411.20760858 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.