CID 453394

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

Structural Information

Molecular Formula
C18H19N5O
SMILES
C1CN(CCN1C2=C(C=CC=N2)N)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C18H19N5O/c19-14-5-3-7-20-17(14)22-8-10-23(11-9-22)18(24)16-12-13-4-1-2-6-15(13)21-16/h1-7,12,21H,8-11,19H2
InChIKey
CIBUJFBWRFSXTF-UHFFFAOYSA-N
Compound name
[4-(3-amino-2-pyridinyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.15897 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.166246 175.7
[M+Na]+ 344.148188 182.5
[M-H]- 320.151694 179.3
[M+NH4]+ 339.192793 185.4
[M+K]+ 360.122128 175.2
[M+H-H2O]+ 304.156230 164.4
[M+HCOO]- 366.157171 190.6
[M+CH3COO]- 380.172821 184.2
[M+Na-2H]- 342.133636 178.1
[M]+ 321.15842142 170.1
[M]- 321.15951858 170.1
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.