CID 489432

1-[5-fluoroindolyl-2-carbonyl]-4-[3-(1,1-dimethylethylamino)-2-pyrazinyl]piperazine

Structural Information

Molecular Formula
C21H25FN6O
SMILES
CC(C)(C)NC1=NC=CN=C1N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)F
InChI
InChI=1S/C21H25FN6O/c1-21(2,3)26-18-19(24-7-6-23-18)27-8-10-28(11-9-27)20(29)17-13-14-12-15(22)4-5-16(14)25-17/h4-7,12-13,25H,8-11H2,1-3H3,(H,23,26)
InChIKey
CJLMWBCZIHPPSJ-UHFFFAOYSA-N
Compound name
[4-[3-(tert-butylamino)pyrazin-2-yl]piperazin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

396.2074 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21468 198.7
[M+Na]+ 419.19662 205.4
[M-H]- 395.20012 200.4
[M+NH4]+ 414.24122 204.5
[M+K]+ 435.17056 197.6
[M+H-H2O]+ 379.20466 186.1
[M+HCOO]- 441.20560 208.9
[M+CH3COO]- 455.22125 205.1
[M+Na-2H]- 417.18207 200.0
[M]+ 396.20685 194.3
[M]- 396.20795 194.3
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

patents stripe