CID 921599

2-(piperazine-1-carbonyl)-1h-indole hydrochloride

Structural Information

Molecular Formula
C13H15N3O
SMILES
C1CN(CCN1)C(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C13H15N3O/c17-13(16-7-5-14-6-8-16)12-9-10-3-1-2-4-11(10)15-12/h1-4,9,14-15H,5-8H2
InChIKey
FIVCRRVYLAXYFC-UHFFFAOYSA-N
Compound name
1H-indol-2-yl(piperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

121
Patents

229.1215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.128776 151.8
[M+Na]+ 252.110718 158.2
[M-H]- 228.114224 152.3
[M+NH4]+ 247.155323 166.7
[M+K]+ 268.084658 152.6
[M+H-H2O]+ 212.118760 143.0
[M+HCOO]- 274.119701 166.7
[M+CH3COO]- 288.135351 161.8
[M+Na-2H]- 250.096166 155.8
[M]+ 229.12095142 145.5
[M]- 229.12204858 145.5
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