CID 489470

1-[indolyl-7-carbonyl]-4-[3-(1-methylethylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula

C₂₁H₂₅N₅O

SMILES

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC4=C3NC=C4

InChI

InChI=1S/C21H25N5O/c1-15(2)24-18-7-4-9-23-20(18)25-11-13-26(14-12-25)21(27)17-6-3-5-16-8-10-22-19(16)17/h3-10,15,22,24H,11-14H2,1-2H3

InChIKey

LRTFRYWLXWLTEN-UHFFFAOYSA-N

Compound name

1H-indol-7-yl-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 363.2059 Da
Monoisotopic Mass: 3.1
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]+	364.213176	188.0
[M+Na]+	386.195118	193.0
[M-H]-	362.198624	191.7
[M+NH4]+	381.239723	196.1
[M+K]+	402.169058	186.0
[M+H-H2O]+	346.203160	176.3
[M+HCOO]-	408.204101	201.4
[M+CH3COO]-	422.219751	195.3
[M+Na-2H]-	384.180566	188.9
[M]+	363.20535142	183.8
[M]-	363.20644858	183.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.