CID 3060036

77594-53-7

Structural Information

Molecular Formula

C₂₀H₂₃N₅O

SMILES

C1CN=C(N1)N(CCCO)CC2=C(NC3=CC=CC=C32)C4=CC=CC=N4

InChI

InChI=1S/C20H23N5O/c26-13-5-12-25(20-22-10-11-23-20)14-16-15-6-1-2-7-17(15)24-19(16)18-8-3-4-9-21-18/h1-4,6-9,24,26H,5,10-14H2,(H,22,23)

InChIKey

LQIIQNOIWLGJLZ-UHFFFAOYSA-N

Compound name

3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.19025 Da
Monoisotopic Mass: 1.2
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]+	350.197526	179.9
[M+Na]+	372.179468	185.8
[M-H]-	348.182974	183.3
[M+NH4]+	367.224073	190.0
[M+K]+	388.153408	178.8
[M+H-H2O]+	332.187510	169.1
[M+HCOO]-	394.188451	197.0
[M+CH3COO]-	408.204101	188.3
[M+Na-2H]-	370.164916	181.9
[M]+	349.18970142	178.3
[M]-	349.19079858	178.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.