CID 489444

1-[indolyl-2-carbonyl]-4-[3-(1-pyrrolidinyl)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C22H25N5O
SMILES
C1CCN(C1)C2=C(N=CC=C2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4
InChI
InChI=1S/C22H25N5O/c28-22(19-16-17-6-1-2-7-18(17)24-19)27-14-12-26(13-15-27)21-20(8-5-9-23-21)25-10-3-4-11-25/h1-2,5-9,16,24H,3-4,10-15H2
InChIKey
ALXCIIZBWUOJCC-UHFFFAOYSA-N
Compound name
1H-indol-2-yl-[4-(3-pyrrolidin-1-ylpyridin-2-yl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

375.2059 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.21318 190.0
[M+Na]+ 398.19512 194.6
[M-H]- 374.19862 195.3
[M+NH4]+ 393.23972 197.7
[M+K]+ 414.16906 187.1
[M+H-H2O]+ 358.20316 177.1
[M+HCOO]- 420.20410 200.9
[M+CH3COO]- 434.21975 196.7
[M+Na-2H]- 396.18057 186.9
[M]+ 375.20535 183.3
[M]- 375.20645 183.3
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