CID 594590

4-(piperazin-1-yl)-1h-indole

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CN(CCN1)C2=CC=CC3=C2C=CN3
InChI
InChI=1S/C12H15N3/c1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2
InChIKey
YZKSXUIOKWQABW-UHFFFAOYSA-N
Compound name
4-piperazin-1-yl-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

448
Patents

201.1266 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 144.4
[M+Na]+ 224.115818 151.4
[M-H]- 200.119324 144.9
[M+NH4]+ 219.160423 160.6
[M+K]+ 240.089758 145.5
[M+H-H2O]+ 184.123860 135.7
[M+HCOO]- 246.124801 160.3
[M+CH3COO]- 260.140451 155.1
[M+Na-2H]- 222.101266 150.1
[M]+ 201.12605142 137.8
[M]- 201.12714858 137.8
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