CID 453397

Piperazine, 1-(3-((1,1-dimethylethyl)amino)-2-pyridinyl)-4-(1h-indol-2-ylcarbonyl)-

Structural Information

Molecular Formula
C22H27N5O
SMILES
CC(C)(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C22H27N5O/c1-22(2,3)25-18-9-6-10-23-20(18)26-11-13-27(14-12-26)21(28)19-15-16-7-4-5-8-17(16)24-19/h4-10,15,24-25H,11-14H2,1-3H3
InChIKey
NAMXWLDRNCAMLB-UHFFFAOYSA-N
Compound name
[4-[3-(tert-butylamino)pyridin-2-yl]piperazin-1-yl]-(1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.22156 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22884 194.2
[M+Na]+ 400.21078 199.5
[M-H]- 376.21428 198.0
[M+NH4]+ 395.25538 202.0
[M+K]+ 416.18472 192.4
[M+H-H2O]+ 360.21882 182.9
[M+HCOO]- 422.21976 206.6
[M+CH3COO]- 436.23541 201.3
[M+Na-2H]- 398.19623 196.5
[M]+ 377.22101 190.3
[M]- 377.22211 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.