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-aminopyridin-2-yl)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]+ 322.16625 175.7
[M+Na]+ 344.14819 182.5
[M-H]- 320.15169 179.3
[M+NH4]+ 339.19279 185.4
[M+K]+ 360.12213 175.2
[M+H-H2O]+ 304.15623 164.4
[M+HCOO]- 366.15717 190.6
[M+CH3COO]- 380.17282 184.2
[M+Na-2H]- 342.13364 178.1
[M]+ 321.15842 170.1
[M]- 321.15952 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.