CID 489450

1-[5-fluoro-6-methoxyindolyl-2-carbonyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C22H26FN5O2
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC(=C(C=C4N3)OC)F
InChI
InChI=1S/C22H26FN5O2/c1-14(2)25-17-5-4-6-24-21(17)27-7-9-28(10-8-27)22(29)19-12-15-11-16(23)20(30-3)13-18(15)26-19/h4-6,11-14,25-26H,7-10H2,1-3H3
InChIKey
YKJAPAQHCZBUJP-UHFFFAOYSA-N
Compound name
(5-fluoro-6-methoxy-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

411.20706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.21434 199.8
[M+Na]+ 434.19628 205.9
[M-H]- 410.19978 202.8
[M+NH4]+ 429.24088 206.3
[M+K]+ 450.17022 199.0
[M+H-H2O]+ 394.20432 187.4
[M+HCOO]- 456.20526 211.9
[M+CH3COO]- 470.22091 206.5
[M+Na-2H]- 432.18173 198.1
[M]+ 411.20651 197.1
[M]- 411.20761 197.1
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.