CID 2760994

633322-11-9

Structural Information

Molecular Formula

C₁₃H₁₅N₃O

SMILES

C1CN(CCN1)C(=O)C2=CC3=C(C=C2)C=CN3

InChI

InChI=1S/C13H15N3O/c17-13(16-7-5-14-6-8-16)11-2-1-10-3-4-15-12(10)9-11/h1-4,9,14-15H,5-8H2

InChIKey

USRKDEZHNHRTIB-UHFFFAOYSA-N

Compound name

1H-indol-6-yl(piperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 229.1215 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe