CID 3069502

1h-indole, 7-(1-piperazinyl)-

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CN(CCN1)C2=CC=CC3=C2NC=C3
InChI
InChI=1S/C12H15N3/c1-2-10-4-5-14-12(10)11(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2
InChIKey
XKDAUEWDPSMDGG-UHFFFAOYSA-N
Compound name
7-piperazin-1-yl-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

75
Patents

201.1266 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 145.4
[M+Na]+ 224.11582 158.5
[M+NH4]+ 219.16042 154.1
[M+K]+ 240.08976 153.0
[M-H]- 200.11932 147.9
[M+Na-2H]- 222.10127 152.5
[M]+ 201.12605 147.8
[M]- 201.12715 147.8
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

patents stripe