CID 3060032

77587-89-4

Structural Information

Molecular Formula

C₂₁H₂₅N₅O

SMILES

CCCC(N(CC1=C(NC2=CC=CC=C21)C3=CC=CC=N3)C4=NCCN4)O

InChI

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

InChIKey

DXZLRUFMQKFGEY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 363.2059 Da
Monoisotopic Mass: 2.2
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]+	364.213176	184.7
[M+Na]+	386.195118	189.8
[M-H]-	362.198624	188.2
[M+NH4]+	381.239723	194.1
[M+K]+	402.169058	183.2
[M+H-H2O]+	346.203160	174.0
[M+HCOO]-	408.204101	200.5
[M+CH3COO]-	422.219751	192.5
[M+Na-2H]-	384.180566	185.2
[M]+	363.20535142	182.9
[M]-	363.20644858	182.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.